SCHEMBL8960033

SCHEMBL8960033

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 2/20 0.69
EGFR P00533 1/20 0.44
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41
FFAR1 O14842 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
MTNR1A P48039 1/20 0.41

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 0.84 OXER1 (0.91) OXER1EGFRALDH1A1MAPTMEN1
SCHEMBL9160699 0.84 OXER1 (0.91) OXER1EGFRALDH1A1MAPTMEN1
SCHEMBL9160837 0.84 OXER1 (0.91) OXER1EGFRALDH1A1MAPTMEN1
SCHEMBL9165525 0.84 OXER1 (0.91) OXER1EGFRALDH1A1MAPTMEN1
SCHEMBL286749 0.81 OXER1 (1.00) OXER1EGFRGAAALDH1A1HPGD
SCHEMBL9166286 0.81 OXER1 (0.74) OXER1EGFRCYSLTR2CYSLTR1ALDH1A1
SCHEMBL9162541 0.80 OXER1 (0.69) OXER1EGFRALDH1A1HPGDMAPT
SCHEMBL9166486 0.79 OXER1 (0.67) OXER1EGFRMGAMGAASI
SCHEMBL9164485 0.78 OXER1 (0.66) OXER1FFAR4FFAR1ALDH1A1HPGD
SCHEMBL9169103 0.78 OXER1 (0.66) OXER1FFAR4FFAR1ALDH1A1HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5530019-A FOR TREATMENT OF PROSTATE GLAND DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-06-25 US disclosed
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