SCHEMBL839336

SCHEMBL839336

CC[C@](Cc1ccc(Br)cc1)(NC(=O)c1ccco1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
MAPT P10636 4/20 0.43
GAA P10253 2/20 0.43
HTT P42858 1/20 0.43
BLM P54132 1/20 0.43
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HDAC3 O15379 1/20 0.40
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL838465 1.00 RAB9A (0.49) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL838464 1.00 RAB9A (0.49) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL839114 0.91 KMT2A (0.49) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL839804 0.91 KMT2A (0.49) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL839115 0.91 KMT2A (0.49) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL838604 0.88 KDM4E (0.48) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL838603 0.88 KDM4E (0.48) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL839755 0.88 KDM4E (0.48) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL840334 0.86 KMT2A (0.49) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL840335 0.86 KMT2A (0.49) RAB9ANPC1SMN1; SMN2KMT2AMEN1

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