SCHEMBL8175487

SCHEMBL8175487

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.40
RARA P10276 1/20 0.39
RARB P10826 1/20 0.39
RARG P13631 1/20 0.39
PTPRC P08575 1/20 0.39
PTPRF P10586 1/20 0.39
PTPN1 P18031 1/20 0.39
CDC25B P30305 1/20 0.39
CYP4A11 Q02928 2/20 0.39
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38

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
SCHEMBL8176370 0.93 CYP4A11 (0.44) EGFRRARARARBRARGPTPRC
SCHEMBL8176681 0.92 CYP4A11 (0.41) EGFRRARARARBRARGPTPRC
SCHEMBL8175916 0.91 EGFR (0.46) EGFRPTPRCPTPRFPTPN1CDC25B
SCHEMBL8180152 0.90 CA1 (0.46) EGFRPTPRCPTPRFPTPN1CDC25B
SCHEMBL8167327 0.90 TDP1 (0.46) EGFRRARARARBRARGPTPRC
SCHEMBL8167359 0.89 CA1 (0.47) EGFRPTPRCPTPRFPTPN1CDC25B
SCHEMBL8166934 0.89 SLC6A4 (0.48) EGFRPTPRCPTPRFPTPN1CDC25B
SCHEMBL8175144 0.89 SLC6A4 (0.48) EGFRPTPRCPTPRFPTPN1CDC25B
SCHEMBL8176971 0.87 MAPT (0.43) EGFRPTPRCPTPRFPTPN1CDC25B
SCHEMBL8181712 0.87 EGFR (0.39) EGFRPTPRCPTPRFPTPN1CDC25B

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