SCHEMBL10367311

SCHEMBL10367311

CC(C)Cc1cc(OCc2ccccc2)c2c(c1)OC(C)(C)CC2C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR3 O15455 1/20 0.44
▸ MAOB P27338 1/20 0.39
▸ KCNE1 P15382 3/20 0.38
▸ KCNQ1 P51787 3/20 0.38
▸ TDP2 O95551 1/20 0.38
▸ AKR1B1 P15121 1/20 0.38
▸ HIF1A Q16665 3/20 0.37
▸ PTGER1 P34995 1/20 0.37
▸ PTGER4 P35408 1/20 0.37
▸ PTGER3 P43115 1/20 0.37
▸ PTGER2 P43116 1/20 0.37
▸ HTT P42858 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PKM P14618 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.37
▸ CTSD P07339 1/20 0.37

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
SCHEMBL10366171 0.84 TLR3 (0.51) TLR3MAOBKCNE1KCNQ1HIF1A
SCHEMBL10365093 0.84 TLR3 (0.40) TLR3MAOBKCNE1KCNQ1TDP2
SCHEMBL10482681 0.76 TLR3 (0.39) TLR3MAOBKCNE1KCNQ1TDP2
SCHEMBL10365140 0.76 MAOB (0.54) MAOBHTTKDM4EKMT2AGAA
SCHEMBL27815869 0.69 TRPV1 (0.41) KMT2APKMGAAALDH1A1
SCHEMBL6937137 0.67 KCNE1 (0.55) TLR3MAOBKCNE1KCNQ1HIF1A
SCHEMBL9512983 0.67 TLR3 (0.45) TLR3MAOBTDP2AKR1B1HIF1A
SCHEMBL10382338 0.66 PTGDR2 (0.41) TLR3HTTKMT2AGAAALDH1A1
SCHEMBL6601951 0.65 MAOB (0.53) MAOBKCNE1KCNQ1HTTALDH1A1
SCHEMBL8079907 0.64 FOLH1 (0.68) PTGER1KDM4EKMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0089781-B1 BICYCLIC BENZO FUSED COMPOUNDS PFIZER INC. (US) 1990-08-08 — — EP disclosed
US-4870084-A ANALGESICS, ANTIDIARRHEALS PFIZER INC. (US) 1989-09-26 — — US disclosed
US-4863934-A Bicyclic benzo fused pyran compounds used for producing analgesia PFIZER INC. (US) 1989-09-05 — — US disclosed
US-4841078-A ANALGESICS PFIZER INC. (US) 1989-06-20 — — US disclosed
US-4680404-A ANALGESICS, TRANQUILIZERS, ANTIEMETICS, DIURETICS, ANTICONVULSANTS PFIZER INC. (US) 1987-07-14 — — US disclosed
US-4486428-A ANALGESICS, ANTIEMETICS PFIZER INC. (US) 1984-12-04 — — US disclosed
EP-0089781-A2 Bicyclic benzo fused compounds PFIZER INC. (US) 1983-09-28 — — EP disclosed
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