SCHEMBL8992854

SCHEMBL8992854

CCCC(c1ccccc1)c1ccc(C(=O)OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.56
ALDH1A1 P00352 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
GAA P10253 2/20 0.52
RAB9A P51151 5/20 0.51
MAPT P10636 3/20 0.51
OPRD1 P41143 2/20 0.51
CYP1A2 P05177 5/20 0.51
CYP2C9 P11712 4/20 0.51
CYP2C19 P33261 4/20 0.51
MAPK1 P28482 3/20 0.51
CYP3A4 P08684 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
CASR P41180 2/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49

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
SCHEMBL28291146 0.84 MGLL (0.50) TSHRALDH1A1L3MBTL1RAB9AMAPT
SCHEMBL1765701 0.80 SLC6A2 (0.51) TSHRALDH1A1RAB9AMAPTCYP2C9
SCHEMBL14967041 0.80 CYP3A4 (0.53) TSHRALDH1A1GAAMAPTCYP1A2
SCHEMBL14661699 0.80 SLC6A2 (0.51) TSHRALDH1A1RAB9AMAPTCYP2C9
SCHEMBL14670208 0.80 CYP3A4 (0.53) TSHRALDH1A1GAAMAPTCYP1A2
SCHEMBL11901631 0.80 SLC6A2 (0.51) TSHRALDH1A1RAB9AMAPTCYP2C9
SCHEMBL10610472 0.80 SLC6A2 (0.51) TSHRALDH1A1RAB9AMAPTCYP2C9
SCHEMBL2680771 0.80 TSHR (0.64) TSHRALDH1A1L3MBTL1GAARAB9A
SCHEMBL866718 0.80 TSHR (0.64) TSHRALDH1A1L3MBTL1GAARAB9A
SCHEMBL30251598 0.80 TSHR (0.64) TSHRALDH1A1L3MBTL1GAARAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516777-A PROSTATE CANCER THERAPY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-05-14 US disclosed
US-5409928-A Prostate diseases, alopecia OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-04-25 US disclosed
EP-0594149-A2 Condensed pyrazole derivatives, method of manufacturing the same, and androgen inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed