SCHEMBL9307992

SCHEMBL9307992

COC(=O)CCCCCC(c1ccccc1)c1c(C)c(OC)c(C)c(C)c1OC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.46
PPARG P37231 2/20 0.41
CA12 O43570 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
LMNA P02545 1/20 0.40
PPARA Q07869 1/20 0.39
TBXAS1 P24557 1/20 0.39
PTPRC P08575 2/20 0.37
CYP2C9 P11712 1/20 0.37
PTPN13 Q12923 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LTB4R Q15722 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
SCHEMBL9308388 0.90 TBXA2R (0.56) TBXA2RTBXAS1CYP2C9MAPT
SCHEMBL9310437 0.89 TBXA2R (0.54) TBXA2RTBXAS1CYP2C9
SCHEMBL22172496 0.86 TBXA2R (0.50) TBXA2RPPARGCA12CA7CA9
SCHEMBL9310060 0.85 TBXA2R (0.49) TBXA2RLMNATBXAS1CYP2C9
SCHEMBL9310154 0.83 TBXA2R (0.39) TBXA2RTBXAS1CYP2C9
SCHEMBL9308785 0.83 TBXA2R (0.39) TBXA2RTBXAS1CYP2C9
SCHEMBL7820552 0.83 CNR2 (0.41) LMNACYP2C9GAA
SCHEMBL7829250 0.83 TBXA2R (0.40) TBXA2RPPARGCA12CA7CA9
SCHEMBL9019142 0.82 TBXA2R (0.48) TBXA2RPPARGCA12CA7CA9
SCHEMBL9310562 0.82 MEN1 (0.42) TBXA2RCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5304658-A Quinone derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-19 US disclosed
US-5180742-A Lipoxygenase Inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-01-19 US disclosed
EP-0171251-B2 QUINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-12-23 EP disclosed
EP-0171251-B1 QUINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1990-06-27 EP disclosed
EP-0171251-A2 Quinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1986-02-12 EP disclosed