SCHEMBL513378

SCHEMBL513378

C=C(C)C(=O)OC(C)O.O=C(O)C1CCCCC1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
PEPD P12955 1/20 0.33
CYP2C19 P33261 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
Cyclohexane SCHEMBL4358222 0.83 TSHR (0.43) TSHRALDH1A1
SCHEMBL2958771 0.82 ACE (0.35) ACEKDM4EHTTSMN1; SMN2TAAR1
Acetic Acid SCHEMBL2590430 0.81 TSHR (0.45) TSHRALDH1A1
SCHEMBL27553112 0.81 TSHR (0.48) TSHRALDH1A1
SCHEMBL20364 0.81
SCHEMBL10762910 0.81
SCHEMBL11125870 0.81
SCHEMBL11604903 0.80 EPHX1 (0.37) HTTSMN1; SMN2TSHRALDH1A1CYP2C19
Methacrylic Acid SCHEMBL2337043 0.79 TSHR (0.43) TSHRALDH1A1
Methacrylic Acid SCHEMBL28768411 0.79 TSHR (0.43) TSHRALDH1A1

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-8593633-B2 Cure degree evaluation method, cure degree evaluation sheet, and cure degree evaluation system for evaluating cure degree of active energy ray-curable resin composition OMRON CORPORATION (JP) 2013-11-26 US disclosed
US-20120026501-A1 CURE DEGREE EVALUATION METHOD, CURE DEGREE EVALUATION SHEET, AND CURE DEGREE EVALUATION SYSTEM FOR EVALUATING CURE DEGREE OF ACTIVE ENERGY RAY-CURABLE RESIN COMPOSITION OMRON CORPORATION (JP) 2012-02-02 US disclosed