SCHEMBL8959857

SCHEMBL8959857

CCCCC(OCCCO)c1ccc(CC(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.39
PTGS1 P23219 4/20 0.39
CXCR1 P25024 3/20 0.39
CXCR2 P25025 3/20 0.39
LMNA P02545 2/20 0.39
CYP2C9 P11712 2/20 0.39
AKR1C3 P42330 2/20 0.39
ALOX5 P09917 2/20 0.39
ALB P02768 1/20 0.39
ESR1 P03372 1/20 0.39
RARB P10826 1/20 0.39
ADRB3 P13945 1/20 0.39
NFKB1 P19838 1/20 0.39
HTR2A P28223 1/20 0.39
NR1I3 Q14994 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
CXCL8 P10145 1/20 0.39
TSHR P16473 1/20 0.39
AKR1C2 P52895 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL8959874 0.93 PTGS2 (0.40) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL8960173 0.83 PTGS1 (0.46) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL9543414 0.78 PTGS2 (0.44) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL5491990 0.77 CASR (0.39) LMNA
SCHEMBL8959752 0.75 ESR1 (0.44) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL19511867 0.75 GPR88 (0.41) LMNATSHR
SCHEMBL8959730 0.75 PTGS1 (0.43) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL8959728 0.75 PTGS1 (0.43) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL22828760 0.74 PTGS2 (0.42) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL9334391 0.74 PTGS1 (0.49) PTGS2PTGS1CXCR1CXCR2LMNA

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-5530019-A FOR TREATMENT OF PROSTATE GLAND DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-06-25 US disclosed
EP-0648208-A1 INDOLE DERIVATIVES AS TESTOSTERONE 5 ALPHA-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-04-19 EP disclosed
WO-1994022821-A1 INDOLE DERIVATIVES AS TESTOSTERONE 5 ALPHA-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed