SCHEMBL9166286

SCHEMBL9166286

CCCCC(CCCC)CCCCC(=O)c1c(CCCC(=O)O)[nH]c2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 2/20 0.74
EGFR P00533 1/20 0.43
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39

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
SCHEMBL9165525 0.90 OXER1 (0.91) OXER1EGFRALDH1A1MAPTKMT2A
SCHEMBL9164420 0.90 OXER1 (0.91) OXER1EGFRALDH1A1MAPTKMT2A
SCHEMBL9160699 0.90 OXER1 (0.91) OXER1EGFRALDH1A1MAPTKMT2A
SCHEMBL9160837 0.90 OXER1 (0.91) OXER1EGFRALDH1A1MAPTKMT2A
SCHEMBL9166418 0.88 OXER1 (0.57) OXER1ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL286749 0.85 OXER1 (1.00) OXER1EGFRALDH1A1HPGDHSD17B10
SCHEMBL9165482 0.84 OXER1 (0.63) OXER1EGFRALDH1A1MAPTCYP1A2
SCHEMBL9267825 0.84 OXER1 (0.84) OXER1MAPTKMT2AMEN1
SCHEMBL9169003 0.83 OXER1 (0.67) OXER1EGFRALDH1A1MAPTCYP1A2
SCHEMBL9165571 0.82 OXER1 (0.73) OXER1EGFRALDH1A1CYP1A2CYP2D6

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