SCHEMBL8167359

SCHEMBL8167359

COC(=O)c1ccc(C#C/C=C/c2ccccc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MAPT P10636 4/20 0.43
NPC1 O15118 3/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HDAC8 Q9BY41 4/20 0.41
PTPRC P08575 1/20 0.41
PTPRF P10586 1/20 0.41
PTPN1 P18031 1/20 0.41
CDC25B P30305 1/20 0.41
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 2/20 0.40
EGFR P00533 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAOB P27338 3/20 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
SCHEMBL8175916 0.91 EGFR (0.46) CA1CA2MAPTNPC1PTPRC
SCHEMBL8167327 0.90 TDP1 (0.46) MAPTNPC1PTPRCPTPRFPTPN1
SCHEMBL8180152 0.90 CA1 (0.46) CA1CA2LMNAPTPRCPTPRF
SCHEMBL7922803 0.90 CA1 (0.46) CA1CA2MAPTNPC1KMT2A
SCHEMBL8176971 0.89 MAPT (0.43) MAPTNPC1LMNAKMT2AMEN1
SCHEMBL8166934 0.89 SLC6A4 (0.48) MAPTNPC1LMNAPTPRCPTPRF
SCHEMBL8175487 0.89 EGFR (0.40) CA1CA2MAPTKMT2AMEN1
SCHEMBL8175144 0.89 SLC6A4 (0.48) MAPTNPC1KMT2AMEN1PTPRC
SCHEMBL8175906 0.89 MAPT (0.47) MAPTNPC1KMT2AMEN1HDAC8
SCHEMBL8167132 0.88 RAB9A (0.44) CA1CA2MAPTNPC1LMNA

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