SCHEMBL9165482

SCHEMBL9165482

CCCCC(CCCCCC(=O)c1c(CCCC(=O)O)[nH]c2ccccc12)c1ccc(CC(C)C)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 2/20 0.63
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
EGFR P00533 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGES O14684 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
SCHEMBL9160593 0.96 OXER1 (0.61) OXER1MAPTHPGDALDH1A1CYP1A2
SCHEMBL9164628 0.90 OXER1 (0.50) OXER1MAPTHPGDALDH1A1CYP1A2
SCHEMBL9161199 0.89 OXER1 (0.48) OXER1MAPTHPGDALDH1A1CYP1A2
SCHEMBL8960426 0.86 OXER1 (0.48) OXER1MAPTHPGDALDH1A1CYP1A2
SCHEMBL9167173 0.85 OXER1 (0.66) OXER1MAPTALDH1A1CYP1A2CYP2D6
SCHEMBL9166286 0.84 OXER1 (0.74) OXER1MAPTHPGDALDH1A1CYP1A2
SCHEMBL9160699 0.83 OXER1 (0.91) OXER1MAPTALDH1A1EGFRMEN1
SCHEMBL9164420 0.83 OXER1 (0.91) OXER1MAPTALDH1A1EGFRMEN1
SCHEMBL9160837 0.83 OXER1 (0.91) OXER1MAPTALDH1A1EGFRMEN1
SCHEMBL9165525 0.83 OXER1 (0.91) OXER1MAPTALDH1A1EGFRMEN1

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