SCHEMBL9168348

SCHEMBL9168348

CCOC(=O)CCCc1[nH]c2ccccc2c1C(=O)CCCCOCCCCCc1ccc(CC(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALOX5 P09917 4/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
CYP4Z1 Q86W10 2/20 0.37
MAPT P10636 3/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
NSD2 O96028 1/20 0.35
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP4F11 Q9HBI6 1/20 0.35

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
SCHEMBL9165563 0.97 OXER1 (0.48) OXER1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL9166856 0.95 OXER1 (0.53) OXER1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL9166360 0.88 OXER1 (0.61) OXER1SMN1; SMN2ALOX5MAPTHPGD
SCHEMBL8960426 0.84 OXER1 (0.48) OXER1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL9164628 0.84 OXER1 (0.50) OXER1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL9161199 0.83 OXER1 (0.48) OXER1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL9167173 0.82 OXER1 (0.66) OXER1SMN1; SMN2CYP1A2CYP2D6CYP2C19
SCHEMBL9169764 0.82 OXER1 (0.69) OXER1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL9166224 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 2 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