SCHEMBL9165535

SCHEMBL9165535

CCCCCCCCCC(=O)c1c(CCCC(=O)OCC)[nH]c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 1/20 0.69
SMN1; SMN2 Q16637 4/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
ALOX15 P16050 4/20 0.47
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
TSHR P16473 2/20 0.45
LMNA P02545 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPT P10636 4/20 0.45
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HPGD P15428 1/20 0.43
NR4A1 P22736 1/20 0.42

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
SCHEMBL9159838 1.00 OXER1 (0.69) OXER1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL9166224 1.00 OXER1 (0.69) OXER1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL9169764 1.00 OXER1 (0.69) OXER1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL9167124 1.00 OXER1 (0.69) OXER1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL9166603 1.00 OXER1 (0.69) OXER1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL9161654 1.00 OXER1 (0.69) OXER1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL9162572 0.91 OXER1 (0.58) OXER1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL9166418 0.91 OXER1 (0.57) OXER1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL9164420 0.86 OXER1 (0.91) OXER1MAPTALDH1A1
SCHEMBL9160699 0.86 OXER1 (0.91) OXER1MAPTALDH1A1

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