SCHEMBL9166013

SCHEMBL9166013

CC(C)Cc1ccc(CCCCCO)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.49
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
PTGS2 P35354 5/20 0.45
PTGS1 P23219 4/20 0.43
LMNA P02545 3/20 0.43
ESR1 P03372 3/20 0.43
CYP2C9 P11712 2/20 0.43
AKR1C3 P42330 2/20 0.43
CXCR1 P25024 2/20 0.43
CXCR2 P25025 2/20 0.43
ADRB3 P13945 2/20 0.43
ALB P02768 1/20 0.43
ALOX5 P09917 1/20 0.43
RARB P10826 1/20 0.43
NFKB1 P19838 1/20 0.43
HTR2A P28223 1/20 0.43
NR1I3 Q14994 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
CXCL8 P10145 1/20 0.43

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
SCHEMBL9441031 1.00 CA2 (0.49) CA2CYP4F2CYP4A11PTGS2PTGS1
SCHEMBL9441117 1.00 CA2 (0.49) CA2CYP4F2CYP4A11PTGS2PTGS1
SCHEMBL9381915 0.98 CYP4A11 (0.49) CA2CYP4F2CYP4A11PTGS2PTGS1
SCHEMBL9340223 0.92 PTGS2 (0.47) CA2CYP4A11PTGS2PTGS1LMNA
SCHEMBL9161078 0.86 LMNA (0.46) CA2CYP4F2CYP4A11PTGS2PTGS1
SCHEMBL9391579 0.84 CA2 (0.49) CA2CYP4F2CYP4A11PTGS2PTGS1
SCHEMBL1977984 0.83 PTGS2 (0.58) CA2CYP4F2CYP4A11PTGS2PTGS1
SCHEMBL9166865 0.83 LMNA (0.52) CYP4F2CYP4A11PTGS2PTGS1LMNA
SCHEMBL23837668 0.82 CA2 (0.63) CA2CYP4F2CYP4A11PTGS2PTGS1
SCHEMBL3424786 0.82 CA2 (0.63) CA2CYP4F2CYP4A11PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0603278-A1 INDOLE DERIVATIVES AS 5-ALPHA-REDUCTASE INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-06-29 EP disclosed
WO-1993005019-A1 INDOLE DERIVATIVES AS 5-ALPHA-REDUCTASE INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-03-18 WO disclosed