SCHEMBL775402

SCHEMBL775402

C=C(C)C(=O)OCC(=O)N1C(=O)CCCC1OC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
F2 P00734 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL774869 0.96 ALDH1A1 (0.35) ALDH1A1F2KMT2AATMCHRM2
SCHEMBL774863 0.94 ALDH1A1 (0.37) ALDH1A1F2KMT2AATMCHRM2
SCHEMBL775001 0.85 ALDH1A1 (0.36) ALDH1A1F2KMT2AATMTSHR
SCHEMBL774997 0.84 ALDH1A1 (0.38) ALDH1A1KMT2AATMTSHR
SCHEMBL774855 0.84 F2 (0.31) F2CHRM2CHRM4CHRM1CHRM3
SCHEMBL775146 0.83 ALDH1A1 (0.37) ALDH1A1F2KMT2AATMTSHR
SCHEMBL775293 0.83 ALDH1A1 (0.39) ALDH1A1F2KMT2AATMTSHR
SCHEMBL774846 0.81 ALDH1A1 (0.37) ALDH1A1KMT2AATMTSHR
SCHEMBL775156 0.80 CYP2D6 (0.31) F2
SCHEMBL775145 0.80 ALDH1A1 (0.36) ALDH1A1KMT2AATMTSHR

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-20120070778-A1 RESIN, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-22 US disclosed
US-20120070778-A1 RESIN, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-22 US disclosed