SCHEMBL8169474

SCHEMBL8169474

COCOc1cccc(-c2ccc(C)cc2)c1/C=C/C#Cc1ccc(C(=O)OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.43
▸ RARA P10276 3/20 0.38
▸ RARB P10826 3/20 0.38
▸ RARG P13631 3/20 0.38
▸ TDP1 Q9NUW8 3/20 0.38
▸ LMNA P02545 4/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ AURKA O14965 1/20 0.35
▸ DAPK3 O43293 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ RET P07949 1/20 0.35
▸ IGF1R P08069 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
SCHEMBL7930726 0.91 RARB (0.47) EGFRRARARARBRARGTDP1
SCHEMBL8168025 0.89 TDP1 (0.42) EGFRRARARARBRARGTDP1
SCHEMBL8177006 0.86 EGFR (0.39) EGFRRARARARBRARGTDP1
SCHEMBL8179340 0.84 TDP1 (0.43) EGFRRARARARBRARGTDP1
SCHEMBL1683977 0.80 RARB (0.51) RARARARBRARGTDP1LMNA
SCHEMBL1683976 0.80 RARB (0.51) RARARARBRARGTDP1LMNA
SCHEMBL8175984 0.79 EGFR (0.43) EGFRRARARARBRARGTDP1
SCHEMBL8174596 0.79 EGFR (0.41) EGFRRARARARBRARGTDP1
SCHEMBL8167327 0.79 TDP1 (0.46) EGFRRARARARBRARGTDP1
SCHEMBL8176971 0.79 MAPT (0.43) EGFRTDP1LMNAL3MBTL1MAPT

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
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