SCHEMBL9462196

SCHEMBL9462196

COc1ccc(CNCC(C(=O)O)C(C)O[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ANPEP P15144 1/20 0.44
ERAP2 Q6P179 1/20 0.44
TP53 P04637 1/20 0.43
ALDH1A1 P00352 1/20 0.42
ATM Q13315 1/20 0.42
LDHA P00338 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.39
EPHX2 P34913 1/20 0.39
RAB9A P51151 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL9461991 1.00 MEN1 (0.44) MEN1KMT2AANPEPERAP2TP53
SCHEMBL9695572 0.88 ATM (0.44) MEN1KMT2AANPEPALDH1A1ATM
SCHEMBL18076438 0.80 MEN1 (0.44) MEN1KMT2AANPEPERAP2TP53
SCHEMBL9314679 0.77 SMN1; SMN2 (0.47) MEN1KMT2AALDH1A1ATMKDM4E
SCHEMBL18089398 0.75 ANPEP (0.47) MEN1KMT2AANPEPERAP2TP53
SCHEMBL31618680 0.75 ANPEP (0.47) MEN1KMT2AANPEPERAP2TP53
SCHEMBL8631335 0.73
SCHEMBL26625731 0.73 ANPEP (0.41) MEN1KMT2AANPEPERAP2TP53
SCHEMBL26625734 0.73 ANPEP (0.41) MEN1KMT2AANPEPERAP2TP53
SCHEMBL8431959 0.72 FAAH (0.30) MEN1KMT2AANPEPERAP2ALDH1A1

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-5241064-A Acylation of allylic alcohol; enzyme hydrolysis; reacting with amine; cyclization; chemical intermediate for (carba)penems, cephalosporins FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-31 US disclosed