SCHEMBL9310060

SCHEMBL9310060

COc1c(C)c(C)c(OC)c(C(CCCC(=O)O)c2ccccc2)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.49
TBXAS1 P24557 1/20 0.42
CYP2C9 P11712 1/20 0.38
BRD4 O60885 1/20 0.37
BRD2 P25440 1/20 0.37
BRD3 Q15059 1/20 0.37
FFAR1 O14842 1/20 0.37
IMPDH1 P20839 2/20 0.36
LMNA P02545 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
PDE4B Q07343 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
IMPDH2 P12268 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
TACR1 P25103 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
SCHEMBL9310437 0.96 TBXA2R (0.54) TBXA2RTBXAS1CYP2C9BRD4BRD2
SCHEMBL9308388 0.95 TBXA2R (0.56) TBXA2RTBXAS1CYP2C9IMPDH1
SCHEMBL9549853 0.87 TBXAS1 (0.56) TBXA2RTBXAS1
SCHEMBL9307992 0.85 TBXA2R (0.46) TBXA2RTBXAS1CYP2C9LMNA
SCHEMBL9310772 0.85 HTR2A (0.36) TBXA2RCYP2C9BRD4BRD2BRD3
SCHEMBL9549822 0.83 TBXAS1 (0.61) TBXA2RTBXAS1
SCHEMBL9662366 0.83 SIGMAR1 (0.38) TBXA2RCYP2C9MTNR1AMTNR1BMEN1
SCHEMBL9310821 0.83 HRH1 (0.37) TBXA2RCYP2C9MTNR1AMTNR1BCNR2
SCHEMBL9549642 0.82 TBXAS1 (0.63) TBXA2RTBXAS1
SCHEMBL9549707 0.82 TBXAS1 (0.63) TBXA2RTBXAS1

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