SCHEMBL8176971

SCHEMBL8176971

COCOc1ccc(-c2ccccc2/C=C/C#Cc2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
RAB9A P51151 2/20 0.43
EGFR P00533 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
FYN P06241 2/20 0.38
LMNA P02545 1/20 0.37
PTPRC P08575 1/20 0.36
PTPRF P10586 1/20 0.36
PTPN1 P18031 1/20 0.36
CDC25B P30305 1/20 0.36
VDR P11473 1/20 0.35

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
SCHEMBL6478445 0.91 EGFR (0.47) EGFRPKMFYN
SCHEMBL8175387 0.90 MAPT (0.40) MAPTRAB9AEGFRSMN1; SMN2NPC1
SCHEMBL8167359 0.89 CA1 (0.47) MAPTRAB9AEGFRSMN1; SMN2NPC1
SCHEMBL8175906 0.89 MAPT (0.47) MAPTRAB9ASMN1; SMN2NPC1TDP1
SCHEMBL8175487 0.87 EGFR (0.40) MAPTRAB9AEGFRSMN1; SMN2TDP1
SCHEMBL8175916 0.87 EGFR (0.46) MAPTRAB9AEGFRSMN1; SMN2NPC1
SCHEMBL8174596 0.86 EGFR (0.41) MAPTRAB9AEGFRSMN1; SMN2NPC1
SCHEMBL8175984 0.86 EGFR (0.43) MAPTRAB9AEGFRSMN1; SMN2NPC1
SCHEMBL8180152 0.86 CA1 (0.46) EGFRTDP1LMNAPTPRCPTPRF
SCHEMBL8167327 0.86 TDP1 (0.46) MAPTRAB9AEGFRSMN1; SMN2NPC1

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