SCHEMBL517285

SCHEMBL517285

CCCCCCCCCCCCCCCCC1(C(N)=O)OCc2ccccc2CO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
NR1I2 O75469 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA2A P08913 1/20 0.38
MAPT P10636 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
MMP8 P22894 2/20 0.37
MMP13 P45452 2/20 0.37
SPHK2 Q9NRA0 1/20 0.36
SPHK1 Q9NYA1 1/20 0.36
CETP P11597 2/20 0.36

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
SCHEMBL2762138 0.83 SPHK2 (0.40) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL423941 0.78 SPHK1 (0.36) SPHK1
SCHEMBL1995176 0.78 SPHK1 (0.36) MEN1CYP3A4KMT2ASPHK1CYP1A2
SCHEMBL1997477 0.75 SPHK1 (0.35) SPHK1
SCHEMBL425727 0.74 SPHK1 (0.34) SPHK1
SCHEMBL2219784 0.72 MEN1 (0.38) MEN1CYP3A4KMT2AALDH1A1CYP1A2
SCHEMBL2221257 0.72 MEN1 (0.38) MEN1CYP3A4KMT2AALDH1A1CYP1A2
SCHEMBL7867014 0.71 FAAH (0.51) LMNAMEN1CYP3A4MAPTKMT2A
SCHEMBL31566188 0.70 PPARG (0.40) CETP
SCHEMBL7198978 0.70 SIGMAR1 (0.40) MMP2MMP9MMP8MMP13ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140187667-A1 PHENOLIC RESIN COMPOSITION FOR SHELL MOLDING, RESIN COATED SAND FOR SHELL MOLDING, AND SHELL MOLD FORMED OF THE SAME ASAHI ORGANIC CHEMICALS INDUSTRY CO., LTD. (JP) 2014-07-03 US disclosed
US-20120029113-A1 PHENOLIC RESIN COMPOSITION FOR SHELL MOLDING, RESIN COATED SAND FOR SHELL MOLDING, AND SHELL MOLD FORMED OF THE SAME ASAHI ORGANIC CHEMICALS INDUSTRY CO., LTD. (JP) 2012-02-02 US disclosed