SCHEMBL9168940

SCHEMBL9168940

CC(C)CCCC(C)CC(=O)c1c(CCCC(=O)O)[nH]c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 2/20 0.58
ALOX15 P16050 2/20 0.43
EGFR P00533 2/20 0.43
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 2/20 0.37
MAPK1 P28482 1/20 0.37
SRC P12931 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
MITF O75030 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
PKM P14618 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
SCHEMBL9169003 0.88 OXER1 (0.67) OXER1EGFRKMT2AMEN1KDM4E
SCHEMBL9164659 0.85 OXER1 (0.54) OXER1ALOX15EGFRKMT2AMEN1
SCHEMBL9165571 0.80 OXER1 (0.73) OXER1EGFRKMT2AMEN1KDM4E
SCHEMBL15958718 0.78 OXER1 (0.70) OXER1KDM4EALDH1A1HSD17B10GAA
SCHEMBL9167173 0.77 OXER1 (0.66) OXER1EGFRKMT2AMEN1KDM4E
SCHEMBL9166286 0.76 OXER1 (0.74) OXER1ALOX15EGFRKMT2AMEN1
SCHEMBL9160699 0.76 OXER1 (0.91) OXER1EGFRKMT2AMEN1ALDH1A1
SCHEMBL9160837 0.76 OXER1 (0.91) OXER1EGFRKMT2AMEN1ALDH1A1
SCHEMBL9164420 0.76 OXER1 (0.91) OXER1EGFRKMT2AMEN1ALDH1A1
SCHEMBL9165525 0.76 OXER1 (0.91) OXER1EGFRKMT2AMEN1ALDH1A1

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