SCHEMBL9164485

SCHEMBL9164485

CCCCCCC/C=C/C(=O)c1c(CCCC(=O)O)[nH]c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 2/20 0.66
CYP2D6 P10635 1/20 0.47
PPARG P37231 6/20 0.44
PPARA Q07869 6/20 0.44
EPHX2 P34913 1/20 0.44
ALDH1A1 P00352 4/20 0.43
F7 P08709 4/20 0.43
F3 P13726 4/20 0.43
PPARD Q03181 4/20 0.43
FABP4 P15090 3/20 0.43
HSD17B10 Q99714 3/20 0.43
DUSP3 P51452 2/20 0.43
PTPN7 P35236 2/20 0.43
LMNA P02545 2/20 0.43
CYP19A1 P11511 2/20 0.43
ALOX15 P16050 2/20 0.43
PTGS1 P23219 2/20 0.43
NR4A2 P43354 2/20 0.43
SIRT6 Q8N6T7 2/20 0.43
KDM4E B2RXH2 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
SCHEMBL9169103 1.00 OXER1 (0.66) OXER1CYP2D6PPARGPPARAEPHX2
SCHEMBL9166486 0.84 OXER1 (0.67) OXER1CYP2D6ALDH1A1HSD17B10ALOX15
SCHEMBL9161157 0.82 OXER1 (0.65) OXER1CYP2D6ALDH1A1ALOX15CYP3A4
SCHEMBL9164420 0.82 OXER1 (0.91) OXER1ALDH1A1MAPTKMT2AATM
SCHEMBL9165525 0.82 OXER1 (0.91) OXER1ALDH1A1MAPTKMT2AATM
SCHEMBL9160837 0.82 OXER1 (0.91) OXER1ALDH1A1MAPTKMT2AATM
SCHEMBL9160699 0.82 OXER1 (0.91) OXER1ALDH1A1MAPTKMT2AATM
SCHEMBL9161664 0.81 CNR1 (0.44) OXER1CYP2D6ALDH1A1MAPTPOLB
SCHEMBL9169538 0.81 CNR1 (0.44) OXER1CYP2D6ALDH1A1MAPTPOLB
SCHEMBL9160603 0.81 CNR1 (0.44) OXER1CYP2D6ALDH1A1MAPTPOLB

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