SCHEMBL8179340

SCHEMBL8179340

COC(=O)c1ccc(C#C/C=C/c2c(O)cccc2-c2ccc(C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.43
▸ EGFR P00533 1/20 0.41
▸ RARA P10276 2/20 0.40
▸ RARB P10826 2/20 0.40
▸ RARG P13631 2/20 0.40
▸ ERN1 O75460 3/20 0.38
▸ MAPT P10636 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ CA14 Q9ULX7 2/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ KDM4A O75164 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL8168025 0.88 TDP1 (0.42) TDP1EGFRRARARARBRARG
SCHEMBL7922680 0.88 RARB (0.51) RARARARBRARGERN1ALDH1A1
SCHEMBL8169474 0.84 EGFR (0.43) TDP1EGFRRARARARBRARG
SCHEMBL8175917 0.84 TDP1 (0.43) TDP1EGFRRARARARBRARG
SCHEMBL8167327 0.84 TDP1 (0.46) TDP1EGFRRARARARBRARG
SCHEMBL8175790 0.79 TDP1 (0.46) TDP1EGFRRARARARBRARG
SCHEMBL8181855 0.79 TDP1 (0.46) TDP1EGFRRARARARBRARG
SCHEMBL8176699 0.79 TDP1 (0.43) TDP1EGFRRARARARBRARG
SCHEMBL1683977 0.79 RARB (0.51) TDP1RARARARBRARGMAPT
SCHEMBL1683976 0.79 RARB (0.51) TDP1RARARARBRARGMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6150413-A TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, BONE AND OPHTHALMOLOGICAL DISORDERS, AS WELL AS MAMMALIAN SKIN AND HAIR CONDITIONS; 4-(4-(BIPHENYL-2-YL)BUT-3-EN-1-YNYL)BENZOIC ACID, FOR EXAMPLE CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2000-11-21 — — US disclosed
Send feedback