SCHEMBL8123794

SCHEMBL8123794

[CH2]CCCCc1ccc(CC(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.41
PTGS1 P23219 3/20 0.40
PTGS2 P35354 3/20 0.40
LMNA P02545 2/20 0.40
CYP2C9 P11712 2/20 0.40
AKR1C3 P42330 2/20 0.40
CXCR1 P25024 2/20 0.40
CXCR2 P25025 2/20 0.40
ALB P02768 1/20 0.40
ESR1 P03372 1/20 0.40
ALOX5 P09917 1/20 0.40
RARB P10826 1/20 0.40
ADRB3 P13945 1/20 0.40
NFKB1 P19838 1/20 0.40
HTR2A P28223 1/20 0.40
NR1I3 Q14994 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
CXCL8 P10145 1/20 0.40
TSHR P16473 1/20 0.40
AKR1C2 P52895 1/20 0.40

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
SCHEMBL8128255 0.94 PTGS2 (0.41) SIGMAR1PTGS1PTGS2LMNACYP2C9
SCHEMBL5494800 0.85 PTGS2 (0.44) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL1131565 0.81 ESR1 (0.55) PTGS1PTGS2LMNAESR1ADRB3
SCHEMBL9176049 0.79 PTGS1 (0.50) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL9381915 0.79 CYP4A11 (0.49) SIGMAR1PTGS1PTGS2LMNACYP2C9
SCHEMBL5509213 0.79 ESR1 (0.59) PTGS1PTGS2LMNAESR1ADRB3
SCHEMBL31414431 0.79 MAOA (0.54) SIGMAR1PTGS1PTGS2LMNACYP2C9
SCHEMBL1610650 0.79 IDO1 (0.44) LMNAHTR2AEPHX1
SCHEMBL9270492 0.78 CA2 (0.50) SIGMAR1PTGS1PTGS2LMNAESR1
SCHEMBL8121825 0.78 THRA (0.44) SIGMAR1PTGS1PTGS2LMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0717742-A1 PROCESS FOR THE PREPARATION OF INDOLIZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-06-26 EP disclosed
WO-1995007279-A2 PROCESS FOR THE PREPARATION OF INDOLIZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-03-16 WO disclosed
US-5334716-A Preventing testosteron 5a-reductase mediated diseases; alopecia, acne, prostatism FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-08-02 US 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