SCHEMBL9307983

SCHEMBL9307983

CC1=C(C)C(=O)C(C(CCCCC(=O)O)c2cccs2)=C(C)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
TSHR P16473 2/20 0.38
TBXA2R P21731 3/20 0.37
LTB4R Q15722 1/20 0.36
PTGER1 P34995 1/20 0.35
PTGFR P43088 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
TBXAS1 P24557 1/20 0.34
MAP2K7 O14733 1/20 0.34
CDC25A P30304 1/20 0.34
CDC25B P30305 1/20 0.34
RAB9A P51151 1/20 0.34
FFAR1 O14842 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL9310488 0.87 CYP4F2 (0.38) TSHRNPC1POLBALDH1A1HSD17B10
SCHEMBL9308585 0.80 TBXAS1 (0.50) TBXA2RTBXAS1MAP2K7CDC25ACDC25B
Seratrodast SCHEMBL98402 0.79 TBXAS1 (0.52) TBXA2RTBXAS1MAP2K7CDC25ACDC25B
SCHEMBL9308117 0.79 TBXAS1 (0.52) TBXA2RTBXAS1MAP2K7CDC25ACDC25B
Seratrodast SCHEMBL98403 0.79 TBXAS1 (0.52) TBXA2RTBXAS1MAP2K7CDC25ACDC25B
SCHEMBL4362398 0.76 HPGD (0.54) HPGDTSHRTBXA2RLTB4RPTGER1
SCHEMBL2490724 0.75 TBXA2R (0.46) TBXA2RPTGER1PTGFRPTGER2TBXAS1
SCHEMBL4370817 0.74 HPGD (0.56) HPGDTSHRTBXA2RLTB4RPTGER1
SCHEMBL4366864 0.74 HPGD (0.56) HPGDTSHRTBXA2RLTB4RPTGER1
SCHEMBL4369023 0.74 HPGD (0.56) HPGDTSHRTBXA2RLTB4RPTGER1

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