SCHEMBL774876

SCHEMBL774876

C=C(C)C(=O)OCC(=O)N1C(=O)C2C3CC(C4C5CCC(C5)C34)C21

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.33
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL774879 0.87
SCHEMBL775047 0.85 F2 (0.31) F2
SCHEMBL9915992 0.84 KMT2A (0.35) KMT2AALDH1A1
SCHEMBL775041 0.84 ALDH1A1 (0.31) F2KMT2AALDH1A1
SCHEMBL774877 0.83
SCHEMBL775411 0.82 ALDH1A1 (0.32) F2KMT2AALDH1A1
SCHEMBL775135 0.82 F2 (0.31) F2KMT2AALDH1A1
SCHEMBL775042 0.81 ALDH1A1 (0.31) KMT2AALDH1A1
SCHEMBL12764323 0.80 MEN1 (0.33) KMT2A
SCHEMBL775169 0.79

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 1 patent. 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