SCHEMBL7922803

SCHEMBL7922803

COc1ccc(-c2ccccc2/C=C/C#Cc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
RARB P10826 6/20 0.44
RARA P10276 5/20 0.44
RARG P13631 5/20 0.44
SLC16A3 O15427 1/20 0.43
HDAC8 Q9BY41 2/20 0.42
XDH P47989 1/20 0.41
MAP4K4 O95819 1/20 0.41
RXRA P19793 2/20 0.41
CHEK1 O14757 1/20 0.41
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
GLA P06280 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
SCHEMBL8167359 0.90 CA1 (0.47) CA1CA2HDAC8NPC1RAB9A
SCHEMBL6478445 0.89 EGFR (0.47) RARBRARARARGRXRA
SCHEMBL7929254 0.88 SLC16A3 (0.44) RARBRARARARGSLC16A3HDAC8
SCHEMBL6479998 0.88 RARB (0.44) RARBRARARARGRXRA
SCHEMBL7928924 0.88 RARB (0.44) RARBRARARARGRXRA
SCHEMBL6473734 0.88 RARB (0.44) RARBRARARARGRXRA
SCHEMBL1683992 0.87 RARB (0.53) RARBRARARARGMAP4K4RXRA
SCHEMBL1683993 0.87 RARB (0.53) RARBRARARARGMAP4K4RXRA
SCHEMBL7922701 0.87 RARB (0.46) RARBRARARARGHDAC8KDM4E
SCHEMBL7931791 0.86 BACE1 (0.44) CA1CA2RARBRARARARG

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 5 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 claimed
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 claimed
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