SCHEMBL9428951

SCHEMBL9428951

CC(c1ccccc1)N1C[C@H](C(=O)OC(C)(C)C)CC1=O

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.71
MAPK1 P28482 1/20 0.58
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.39
ALOX15 P16050 1/20 0.39
GRM5 P41594 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL739505 1.00 KMT2A (0.71) KMT2AMAPK1MAPTSMN1; SMN2ALOX15
SCHEMBL14310707 1.00 KMT2A (0.71) KMT2AMAPK1MAPTSMN1; SMN2ALOX15
SCHEMBL2183176 0.87 KMT2A (0.75) KMT2AMAPK1MAPTSMN1; SMN2HPGD
SCHEMBL1712998 0.87 KMT2A (0.75) KMT2AMAPK1MAPTSMN1; SMN2HPGD
SCHEMBL4748004 0.87 KMT2A (0.75) KMT2AMAPK1MAPTSMN1; SMN2HPGD
SCHEMBL1713279 0.87 KMT2A (0.75) KMT2AMAPK1MAPTSMN1; SMN2HPGD
SCHEMBL1712995 0.87 KMT2A (0.75) KMT2AMAPK1MAPTSMN1; SMN2HPGD
SCHEMBL1713280 0.87 KMT2A (0.75) KMT2AMAPK1MAPTSMN1; SMN2HPGD
SCHEMBL27885819 0.87 KMT2A (0.75) KMT2AMAPK1MAPTSMN1; SMN2HPGD
SCHEMBL5460103 0.87 KMT2A (0.75) KMT2AMAPK1MAPTSMN1; SMN2HPGD

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-5344940-A Bactericides WARNER-LAMBERT COMPANY (US) 1994-09-06 US disclosed