SCHEMBL7922716

SCHEMBL7922716

COc1cccc(C=O)c1-c1ccc(C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 5/20 0.53
▸ TLR2 O60603 1/20 0.53
▸ TLR1 Q15399 1/20 0.53
▸ TLR6 Q9Y2C9 1/20 0.53
▸ NFE2L2 Q16236 1/20 0.46
▸ SRC P12931 1/20 0.45
▸ ALDH1A1 P00352 5/20 0.42
▸ LMNA P02545 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TNKS O95271 2/20 0.41
▸ TNKS2 Q9H2K2 2/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PARP1 P09874 1/20 0.40

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
SCHEMBL23152115 0.87 ERN1 (0.53) ERN1TLR2TLR1TLR6NFE2L2
SCHEMBL8846481 0.86 ERN1 (0.56) ERN1TLR2TLR1TLR6NFE2L2
SCHEMBL11037384 0.85 ERN1 (0.52) ERN1TLR2TLR1TLR6NFE2L2
SCHEMBL30203585 0.84 ERN1 (0.66) ERN1TLR2TLR1TLR6NFE2L2
SCHEMBL7935210 0.83 SMN1; SMN2 (0.40) ERN1TLR2TLR1TLR6NFE2L2
SCHEMBL3234729 0.83 ERN1 (0.49) ERN1TLR2TLR1TLR6NFE2L2
SCHEMBL1045908 0.82 TNKS (0.46) NFE2L2ALDH1A1LMNATNKSTNKS2
SCHEMBL18529833 0.81 ERN1 (0.50) ERN1TLR2TLR1TLR6SRC
SCHEMBL7935194 0.80 ALDH1A1 (0.54) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL19608992 0.79 ERN1 (0.56) ERN1TLR2TLR1TLR6NFE2L2

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
EP-0879814-B1 Triaromatic compounds, compositions containing them and uses thereof CT INTERNAT DE BR RECH S DERMA (FR) 2001-11-28 — — EP disclosed
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
EP-0879814-A1 Triaromatic compounds, compositions containing them and uses thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1998-11-25 — — EP disclosed
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