SCHEMBL9165571

SCHEMBL9165571

O=C(O)CCCc1[nH]c2ccccc2c1C(=O)CCC(=O)O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 1/20 0.73
EGFR P00533 2/20 0.53
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
ADAM17 P78536 1/20 0.48
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 5/20 0.47
HSD17B10 Q99714 3/20 0.46
MAPK1 P28482 2/20 0.46
SRC P12931 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HDAC3 O15379 1/20 0.44
ADRA1A P35348 1/20 0.44
HDAC4 P56524 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44

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
SCHEMBL9164420 0.87 OXER1 (0.91) OXER1EGFRKMT2AMEN1ALDH1A1
SCHEMBL9169003 0.87 OXER1 (0.67) OXER1EGFRKMT2AMEN1KDM4E
SCHEMBL9160837 0.87 OXER1 (0.91) OXER1EGFRKMT2AMEN1ALDH1A1
SCHEMBL9165525 0.87 OXER1 (0.91) OXER1EGFRKMT2AMEN1ALDH1A1
SCHEMBL9160699 0.87 OXER1 (0.91) OXER1EGFRKMT2AMEN1ALDH1A1
SCHEMBL286749 0.84 OXER1 (1.00) OXER1EGFRKDM4EALDH1A1HSD17B10
SCHEMBL9166286 0.82 OXER1 (0.74) OXER1EGFRKMT2AMEN1ALDH1A1
SCHEMBL9167173 0.81 OXER1 (0.66) OXER1EGFRKMT2AMEN1KDM4E
SCHEMBL9267825 0.80 OXER1 (0.84) OXER1KMT2AMEN1
SCHEMBL9168940 0.80 OXER1 (0.58) OXER1EGFRKMT2AMEN1KDM4E

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