SCHEMBL8960426

SCHEMBL8960426

CCCC(CCCCCCC(=O)c1c(CCCC(=O)OCC)[nH]c2ccccc12)c1ccc(CC(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
MAPT P10636 4/20 0.38
HPGD P15428 2/20 0.38
ALOX5 P09917 3/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
ALOX15 P16050 5/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
NSD2 O96028 1/20 0.34
ABL1 P00519 1/20 0.34
RIN1 Q13671 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.33

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
SCHEMBL9164628 0.97 OXER1 (0.50) OXER1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL9161199 0.96 OXER1 (0.48) OXER1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL9160593 0.90 OXER1 (0.61) OXER1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL9166856 0.87 OXER1 (0.53) OXER1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL9389755 0.87 SMN1; SMN2 (0.41) OXER1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL9165482 0.86 OXER1 (0.63) OXER1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL9168348 0.84 OXER1 (0.50) OXER1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL9166224 0.82 OXER1 (0.69) OXER1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL9169764 0.82 OXER1 (0.69) OXER1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL9167124 0.82 OXER1 (0.69) OXER1SMN1; SMN2CYP1A2CYP3A4CYP2D6

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