SCHEMBL9360872

SCHEMBL9360872

CCCCCCCOc1ccc(C(=O)c2ccc(OCCCCCCC)cc2OCCCCCCC)c(OCCCCCCC)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRA P10827 5/20 0.59
THRB P10828 5/20 0.59
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
PTPN11 Q06124 2/20 0.55
PLA2G4B P0C869 1/20 0.54
NR5A1 Q13285 1/20 0.53
CNR1 P21554 1/20 0.52
CNR2 P34972 1/20 0.52
PLA2G2A P14555 1/20 0.51

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
SCHEMBL19583373 0.95 THRA (0.52) THRATHRBTP53TSHRPTPN11
SCHEMBL5492191 0.89 PTPN11 (0.64) THRATHRBTP53TSHRPTPN11
SCHEMBL7820620 0.89 PTPN11 (0.64) THRATHRBTP53TSHRPTPN11
SCHEMBL30903553 0.89 PTPN11 (0.57) THRATHRBTP53TSHRPTPN11
SCHEMBL1964738 0.89 PTPN11 (0.57) THRATHRBTP53TSHRPTPN11
SCHEMBL30903552 0.89 PTPN11 (0.57) THRATHRBTP53TSHRPTPN11
SCHEMBL30084732 0.88 NPC1 (0.54) THRATHRBNR5A1
SCHEMBL2489105 0.88 NPC1 (0.54) THRATHRBNR5A1
SCHEMBL19549621 0.86 MAOA (0.60) THRATHRBTP53TSHRPTPN11
SCHEMBL7516526 0.86 THRA (0.62) THRATHRBTP53TSHRPTPN11

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0431755-B1 Cosmetic composition UNILEVER PLC (GB) 1994-01-26 EP disclosed
US-5152983-A Mixture of 1,3-propanedione, 1-(4-methoxy-5-benzofurnyl)-3-phenyl and a carrier for topical application to human skin or hair CHESEBROUGH-POND'S USA CO., DIVISION OF CONOPCO, INC. (US) 1992-10-06 US disclosed
EP-0431755-A1 Cosmetic composition UNILEVER PLC (GB) 1991-06-12 EP disclosed