SCHEMBL839804

SCHEMBL839804

CC[C@@](Cc1ccccc1)(NC(=O)c1ccco1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
MEN1 O00255 3/20 0.49
RAB9A P51151 6/20 0.48
NPC1 O15118 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TP53 P04637 2/20 0.45
HPGD P15428 1/20 0.45
HDAC3 O15379 1/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.43
GFER P55789 1/20 0.43

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
SCHEMBL839115 1.00 KMT2A (0.49) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL839114 1.00 KMT2A (0.49) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL839755 0.91 KDM4E (0.48) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL838603 0.91 KDM4E (0.48) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL838464 0.91 RAB9A (0.49) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL838465 0.91 RAB9A (0.49) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL839336 0.91 RAB9A (0.49) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL838604 0.91 KDM4E (0.48) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL840334 0.89 KMT2A (0.49) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL840335 0.89 KMT2A (0.49) KMT2AMEN1RAB9ANPC1SMN1; SMN2

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-8143052-B2 Process for preparing optically active (S or R)-α amino acid and (R or S)-α amino acid ester in one phase organic reaction medium UBE INDUSTRIES, LTD. (JP) 2012-03-27 US disclosed