SCHEMBL7935245

SCHEMBL7935245

CCCOc1cccc(-c2ccccc2/C=C/C#Cc2ccc(C(=O)O)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
HDAC8 Q9BY41 3/20 0.44
FABP1 P07148 1/20 0.42
PTPN11 Q06124 1/20 0.41
PKM P14618 1/20 0.41
NR1H4 Q96RI1 2/20 0.40
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL8175054 0.91 MAPT (0.44) KMT2AHDAC8FABP1LMNAL3MBTL1
SCHEMBL7922701 0.90 RARB (0.46) KMT2AHDAC8PTPN11PKM
SCHEMBL7930701 0.89 EGFR (0.43) RXRARXRBPKM
SCHEMBL7929254 0.87 SLC16A3 (0.44) RXRARXRBHDAC8
SCHEMBL7935134 0.81 RARB (0.46) RXRARXRBPKM
SCHEMBL7929283 0.81 RARB (0.46) RXRARXRBPKM
SCHEMBL6479998 0.81 RARB (0.44) RXRARXRBPTPN11
SCHEMBL7928924 0.81 RARB (0.44) RXRARXRBPTPN11
SCHEMBL6473734 0.81 RARB (0.44) RXRARXRBPTPN11
SCHEMBL7922650 0.81 PTPN11 (0.47) KMT2ARXRAHDAC8PTPN11L3MBTL1

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