SCHEMBL7932613

SCHEMBL7932613

Cc1ccc(-c2c(O)cccc2C=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 9/20 0.50
TRIM24 O15164 1/20 0.48
TRIM33 Q9UPN9 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
TLR2 O60603 1/20 0.40
TLR1 Q15399 1/20 0.40
TLR6 Q9Y2C9 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
AR P10275 2/20 0.39
CYP2A6 P11509 1/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TNKS O95271 1/20 0.37
PARP1 P09874 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL8090735 0.85 ERN1 (0.53) ERN1TRIM24TRIM33CA1CA2
SCHEMBL7935194 0.83 ALDH1A1 (0.54) ERN1TRIM24TRIM33CA1CA2
SCHEMBL6267216 0.83 TRIM24 (0.59) ERN1TRIM24TRIM33CA1CA2
SCHEMBL16432178 0.82 ERN1 (0.50) ERN1TRIM24TRIM33CA1CA2
SCHEMBL7785632 0.80 ACHE (0.43) CA1CA2ALDH1A1TSHRAR
SCHEMBL6048616 0.80 ERN1 (0.67) ERN1TRIM24TRIM33CA1CA2
SCHEMBL3966538 0.79 ERN1 (0.50) ERN1TRIM24TRIM33CA1CA2
SCHEMBL7922716 0.76 ERN1 (0.53) ERN1CA1CA2TLR2TLR1
Salicyladehyde SCHEMBL6057300 0.74 TRIM24 (0.69) ERN1TRIM24TRIM33CA1CA2
SCHEMBL7075278 0.74 ALDH1A1 (0.52) ERN1TRIM24TRIM33CA1CA2

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