SCHEMBL4453916

SCHEMBL4453916

CCCCCCC1C2OC2CCC1(C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.35
S1PR3 Q99500 2/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.33
FASN P49327 1/20 0.33
EPHX1 P07099 1/20 0.33
PPP5C P53041 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 2/20 0.31
SMPD1 P17405 1/20 0.31

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
SCHEMBL1820610 0.80 ALOX5 (0.38) ALOX5S1PR3ALDH1A1
SCHEMBL28147036 0.75 ALOX5 (0.38) ALOX5S1PR3ALDH1A1POLBFASN
SCHEMBL28023532 0.74 ALOX5 (0.41) ALOX5S1PR3ALDH1A1MEN1KMT2A
SCHEMBL890988 0.71 MAPK1 (0.33)
SCHEMBL9717701 0.69 PPP5C (0.34) PPP5C
SCHEMBL9794200 0.68 EPHX1 (0.34) EPHX1
SCHEMBL26695374 0.67 ALOX5 (0.43) ALOX5S1PR3ALDH1A1MEN1KMT2A
SCHEMBL31405356 0.66 ARG1 (0.37) ALOX5EPHX1MEN1KMT2A
SCHEMBL11865559 0.65 PPP5C (0.31) PPP5C
SCHEMBL28806948 0.64 ALDH1A1 (0.44) ALOX5S1PR3ALDH1A1POLBFASN

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
US-20090143524-A1 Fiber-Reinforced Thermoplastic Resin Composition, Method for Producing the Same, and Carbon Fiber for Thermoplastic Resin TORAY INDUSTRIES, INC. (JP) 2009-06-04 US disclosed
EP-1030885-A1 WATER COMPATIBLE CURING AGENTS FOR EPOXY RESINS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2000-08-30 EP disclosed
WO-1999025768-A1 WATER COMPATIBLE CURING AGENTS FOR EPOXY RESINS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1999-05-27 WO disclosed
WO-1998028663-A1 USE FOR STEREOSCOPIC PHOTOLITHOGRAPHY OF A LIQUID COMPOSITION CROSS-LINKABLE BY IRRADIATION USING A CATION COMPRISING A PHOTOINITIATOR OF THE ONIUM SALTS OR OF ORGANOMETALLIC COMPLEX TYPE RHODIA CHIMIE (FR) 1998-07-02 WO disclosed