SCHEMBL839240

SCHEMBL839240

CC[C@](Cc1cccc(F)c1)(NC(=O)c1ccco1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HDAC3 O15379 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.40
RIPK1 Q13546 1/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL839742 1.00 GAA (0.49) GAAKMT2AMEN1NPC1RAB9A
SCHEMBL839239 1.00 GAA (0.49) GAAKMT2AMEN1NPC1RAB9A
SCHEMBL839755 0.88 KDM4E (0.48) GAAKMT2AMEN1NPC1RAB9A
SCHEMBL838604 0.88 KDM4E (0.48) GAAKMT2AMEN1NPC1RAB9A
SCHEMBL838603 0.88 KDM4E (0.48) GAAKMT2AMEN1NPC1RAB9A
SCHEMBL839804 0.86 KMT2A (0.49) GAAKMT2AMEN1NPC1RAB9A
SCHEMBL839114 0.86 KMT2A (0.49) GAAKMT2AMEN1NPC1RAB9A
SCHEMBL839115 0.86 KMT2A (0.49) GAAKMT2AMEN1NPC1RAB9A
SCHEMBL839052 0.83 KMT2A (0.44) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL839053 0.83 KMT2A (0.44) KMT2AMEN1NPC1RAB9ASMN1; 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