SCHEMBL8128151

SCHEMBL8128151

CC(C)CN(C=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
TSHR P16473 2/20 0.39
GLA P06280 1/20 0.39
AOC3 Q16853 2/20 0.39
LMNA P02545 2/20 0.38
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
FPR1 P21462 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.35
PGR P06401 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
KCNH2 Q12809 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31116625 0.80 TSHR (0.48) ALDH1A1TSHRGLATP53MEN1
SCHEMBL305842 0.80 TSHR (0.48) ALDH1A1TSHRGLATP53MEN1
SCHEMBL21122428 0.80 RORC (0.38) ALDH1A1TSHRLMNATP53SMN1; SMN2
SCHEMBL27564907 0.77 MAPT (0.36) ALDH1A1TSHRGLAAOC3LMNA
SCHEMBL709444 0.77 TP53 (0.44) ALDH1A1TSHRGLATP53SMN1; SMN2
SCHEMBL8030137 0.76 AOC3 (0.41) ALDH1A1TSHRAOC3LMNATP53
SCHEMBL490188 0.76 ALOX15 (0.36) ALDH1A1TSHRGLALMNATP53
SCHEMBL10738575 0.74 ALDH1A1 (0.42) ALDH1A1TSHRGLALMNATP53
SCHEMBL7668430 0.74 ALDH1A1 (0.42) ALDH1A1TSHRGLATP53SMN1; SMN2
SCHEMBL9435737 0.74 ALDH1A1 (0.38) ALDH1A1TSHRGLATP53MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0349204-A2 Use and regeneration of reagents using coupled reactions and permselective barriers BEND RESEARCH, INC. (US) 1990-01-03 EP claimed
EP-0519353-B1 Indolizin derivatives, process for their preparation and pharmaceutical composition containing them FUJISAWA PHARMACEUTICAL CO (JP) 2000-08-16 EP disclosed
EP-0717742-B1 PROCESS FOR THE PREPARATION OF INDOLIZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 1998-11-11 EP disclosed
US-5780633-A Process for the preparation of indolizine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-07-14 US disclosed
EP-0458207-B1 Indole derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1997-03-26 EP disclosed
EP-0717742-A1 PROCESS FOR THE PREPARATION OF INDOLIZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-06-26 EP disclosed
EP-0705834-A1 Quinoxaline-2,3-diones with an azaheterocyclic fused ring CIBA-GEIGY AG (CH) 1996-04-10 EP disclosed
EP-0705835-A1 Quinoxalic-2,3-diones with an oxa or thiaheterocyclic fused ring CIBA-GEIGY AG (CH) 1996-04-10 EP disclosed
WO-1995007279-A2 PROCESS FOR THE PREPARATION OF INDOLIZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-03-16 WO disclosed
EP-0620818-A1 ARYL KETONES AS TESTOSTERONE 5$g(a)-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-26 EP disclosed
US-5334716-A Preventing testosteron 5a-reductase mediated diseases; alopecia, acne, prostatism FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-08-02 US disclosed
EP-0600084-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 EP disclosed
US-5312829-A Testosterone 5alpha-reductase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-05-17 US disclosed
WO-1993019067-A1 IMIDAZOPYRIDINE DERIVATIVES AS ANGIOTENSIN II ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-09-30 WO disclosed
WO-1993018030-A1 BENZIMIDAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-09-16 WO disclosed
WO-1993013099-A1 ARYL KETONES AS TESTOSTERONE 5α-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-08 WO disclosed
US-5212320-A Enzyme inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-18 US disclosed
WO-1993003012-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-02-18 WO disclosed
EP-0519353-A2 Indolizin derivatives, process for their preparation and pharmaceutical composition containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-12-23 EP disclosed
US-4157333-A CONDENSATION OF 1,2-METHYLENEDIOXYBENZENE WITH N-ALKYLOORMANILIDE, HYDROLYSIS MITSUI TOATSU CHEMICALS, INC. (JP) 1979-06-05 US disclosed