SCHEMBL674607

SCHEMBL674607

CCCCCCCCCc1ccc(OP(=O)(O)O)c(CC(CC)CCCC)c1CC(CC)CCCC

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.38
S1PR3 Q99500 4/20 0.38
S1PR2 O95136 3/20 0.38
S1PR4 O95977 3/20 0.38
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
ENPP2 Q13822 1/20 0.35
SMPD1 P17405 3/20 0.34
CYP3A4 P08684 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TSHR P16473 2/20 0.34
HTR2A P28223 1/20 0.34
CA2 P00918 1/20 0.34
ALDH1A1 P00352 1/20 0.34
S1PR5 Q9H228 1/20 0.33
GLA P06280 1/20 0.33
HTT P42858 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
SCHEMBL6114500 0.92 S1PR1 (0.37) S1PR1S1PR3S1PR2S1PR4PRSS1
SCHEMBL17491584 0.90 CYP3A4 (0.37) PRSS1PRSS2PRSS3CYP3A4L3MBTL1
SCHEMBL1044231 0.83 CYP3A4 (0.37) PRSS1PRSS2PRSS3CYP3A4L3MBTL1
SCHEMBL10778814 0.81 S1PR1 (0.46) S1PR1S1PR3S1PR2S1PR4ENPP2
SCHEMBL31697558 0.81 S1PR1 (0.46) S1PR1S1PR3S1PR2S1PR4ENPP2
SCHEMBL3673431 0.81 S1PR1 (0.46) S1PR1S1PR3S1PR2S1PR4ENPP2
SCHEMBL9329182 0.81 TYR (0.42) S1PR1S1PR3S1PR2S1PR4ENPP2
SCHEMBL11128600 0.81 TYR (0.42) S1PR1S1PR3S1PR2S1PR4ENPP2
SCHEMBL10350945 0.81 TYR (0.42) S1PR1S1PR3S1PR2S1PR4ENPP2
SCHEMBL29892389 0.81 TYR (0.42) S1PR1S1PR3S1PR2S1PR4ENPP2

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
US-9481746-B2 Modified high-cis isoprene polymer, method for producing the same, and tire containing aforementioned polymer CHI MEI CORPORATION (TW) 2016-11-01 US disclosed
US-20150166707-A1 MODIFIED HIGH CIS BUTADIENE-ISOPRENE COPOLYMER, METHOD FOR PRODUCING THE SAME AND TIRE HAVING AFOREMENTIONED POLYMER CHI MEI CORPORATION (TW) 2015-06-18 US disclosed
US-20150166698-A1 MODIFIED HIGH-CIS ISOPRENE POLYMER, METHOD FOR PRODUCING THE SAME, AND TIRE CONTAINING AFOREMENTIONED POLYMER CHI MEI CORPORATION (TW) 2015-06-18 US disclosed
EP-1873168-B1 MODIFIED CONJUGATED DIENE COPOLYMER, RUBBER COMPOSITIONS AND TIRES BRIDGESTONE CORP (JP) 2012-12-12 EP disclosed
US-7968652-B2 Modified conjugated diene copolymer, rubber compositions and tires BRIDGESTONE CORPORATION (JP) 2011-06-28 US disclosed
US-20090292043-A1 MODIFIED CONJUGATED DIENE COPOLYMER, RUBBER COMPOSITIONS AND TIRES BRIDGESTONE CORPORATION (JP) 2009-11-26 US disclosed
EP-1873168-A1 MODIFIED CONJUGATED DIENE COPOLYMER, RUBBER COMPOSITIONS AND TIRES Bridgestone Corporation (JP) 2008-01-02 EP disclosed