SCHEMBL775293

SCHEMBL775293

C=C(C)C(=O)OCC(=O)N1C(=O)CCC1OC

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
TSHR P16473 4/20 0.33
F2 P00734 1/20 0.31
THRB P10828 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
CASP6 P55212 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ACE P12821 2/20 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
SCHEMBL774863 0.89 ALDH1A1 (0.37) ALDH1A1KMT2AATMTSHRF2
SCHEMBL774859 0.87 ALDH1A1 (0.36) ALDH1A1KMT2AATMTSHRF2
SCHEMBL775400 0.83 ALDH1A1 (0.39) ALDH1A1KMT2AATMTSHRF2
SCHEMBL775402 0.83 ALDH1A1 (0.36) ALDH1A1KMT2AATMTSHRF2
SCHEMBL774869 0.82 ALDH1A1 (0.35) ALDH1A1KMT2AATMF2CYP2D6
SCHEMBL775403 0.81 TSHR (0.33) ALDH1A1TSHRCYP3A4CASP6TDP1
SCHEMBL774997 0.80 ALDH1A1 (0.38) ALDH1A1KMT2AATMTSHRCYP3A4
SCHEMBL12764297 0.79 KMT2A (0.32) KMT2AATMACE
SCHEMBL775146 0.78 ALDH1A1 (0.37) ALDH1A1KMT2AATMTSHRF2
SCHEMBL774846 0.78 ALDH1A1 (0.37) ALDH1A1KMT2AATMTSHRCYP3A4

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