SCHEMBL10716895

SCHEMBL10716895

CCCCC1CCCC(CCCC)N1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 2/20 0.56
S1PR4 O95977 2/20 0.56
S1PR1 P21453 2/20 0.56
S1PR3 Q99500 2/20 0.56
S1PR5 Q9H228 2/20 0.56
CYP1A2 P05177 1/20 0.46
GLB1 P16278 1/20 0.38

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
SCHEMBL8820729 0.93 S1PR2 (0.65) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL31570922 0.93 S1PR2 (0.65) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL4388150 0.93 S1PR2 (0.64) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL9407912 0.91 S1PR2 (0.67) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL10974751 0.90 S1PR2 (0.55) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL14823591 0.89 S1PR2 (0.60) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL2698676 0.87 CYP2C9 (0.48) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL2698680 0.87 CYP2C9 (0.48) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL2698673 0.87 CYP2C9 (0.48) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL14823590 0.85 S1PR2 (0.52) S1PR2S1PR4S1PR1S1PR3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107815087-A The solidification composition filling of the colour stable of PIC comprising (ring) aliphatic vulcabond 巴斯夫欧洲公司 2018-03-20 CN disclosed
CN-104024296-B Color-stable curing compositions of polyisocyanates containing (cyclo) aliphatic diisocyanates 巴斯夫欧洲公司 2017-12-01 CN disclosed
US-4686200-A Catalyst for the polymerization of olefins TOHO TITANIUM CO., LTD. (JP) 1987-08-11 US disclosed
US-4640906-A ORGANOALUMINUM COMPOUND, PIPERIDINE DERIVATIVE AND SOLID FROM DIALKOXYMAGNESIUM COMPOUND, AROMATIC DIESTER AND HALOGENATED HYDROCARBON TOHO TITANIUM CO., LTD. (JP) 1987-02-03 US disclosed