SCHEMBL11759762

SCHEMBL11759762

CCCCCc1c(O)c(CC=C(C)C)c(O)c(CC=C(C)C)c1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.67
▸ MAOB P27338 1/20 0.50
▸ PPARG P37231 2/20 0.47
▸ PPARD Q03181 1/20 0.47
▸ PPARA Q07869 1/20 0.47
▸ CNR1 P21554 2/20 0.47
▸ CNR2 P34972 2/20 0.47
▸ TRPV1 Q8NER1 2/20 0.47
▸ SLC6A3 Q01959 2/20 0.47
▸ TRPA1 O75762 1/20 0.47
▸ INHA P05111 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ OPRM1 P35372 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ TRPM8 Q7Z2W7 1/20 0.47
▸ TRPV3 Q8NET8 1/20 0.47
▸ TRPV4 Q9HBA0 1/20 0.47
▸ TRPV2 Q9Y5S1 1/20 0.47

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
SCHEMBL16224901 0.83 PPARG (0.59) CYP19A1MAOBPPARGPPARDPPARA
SCHEMBL31580292 0.81 MAOB (0.56) CYP19A1MAOBPPARGPPARDPPARA
SCHEMBL31580826 0.79 MAOB (0.57) CYP19A1MAOBHIF1AMEN1KMT2A
SCHEMBL16212552 0.79 CYP19A1 (0.68) CYP19A1PPARGPPARDPPARACNR1
SCHEMBL27553957 0.77 ALOX5 (0.48) CYP19A1SLC6A3SLC6A2SLC6A4HIF1A
SCHEMBL9029687 0.75 CNR1 (0.76) CYP19A1MAOBPPARGPPARDPPARA
SCHEMBL9260013 0.75 CYP19A1 (0.59) CYP19A1PPARGPPARDPPARACNR1
SCHEMBL27956891 0.74 ALOX5 (0.52) CYP19A1SLC6A3SLC6A2SLC6A4HIF1A
SCHEMBL27957033 0.74 ALOX5 (0.52) CYP19A1SLC6A3SLC6A2SLC6A4HIF1A
SCHEMBL9752642 0.74 ALOX5 (0.47) CYP19A1SLC6A3SLC6A2SLC6A4HIF1A

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-4053517-A METHOD OF ACYLATION OF PHLOROGLUCINOL ATLANTIC RESEARCH INSTITUTE LIMITED (BA) 1977-10-11 — — US disclosed
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