SCHEMBL29670810

SCHEMBL29670810

NC(=O)CC[C@@H](C(=O)O)N(C(=O)O)C(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
TRPM8 Q7Z2W7 2/20 0.38
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
BLM P54132 2/20 0.37
PMP22 Q01453 2/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 2/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
PARP1 P09874 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ADRA2C P18825 1/20 0.35

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
Glycine SCHEMBL28901463 0.94 KMT2A (0.36) KMT2ATRPM8MMP2MMP9BLM
SCHEMBL4775104 0.88 CPA3 (0.42) KMT2ATSHRPOLBCYP3A4CYP2C19
SCHEMBL9814706 0.83 KMT2A (0.40) KMT2ATRPM8MMP2MMP9BLM
SCHEMBL11222161 0.80 KMT2A (0.50) KMT2AMMP2MMP9BLMPMP22
SCHEMBL11222164 0.80 KMT2A (0.50) KMT2AMMP2MMP9BLMPMP22
SCHEMBL28294340 0.75 KMT2A (0.40) KMT2AMMP2MMP9BLMPMP22
SCHEMBL8398528 0.75 NPC1 (0.41) KMT2AMMP2MMP9BLMPMP22
SCHEMBL15484293 0.75 ADRA2C (0.50) TRPM8MMP2MMP9TSHRADRA2C
SCHEMBL11372494 0.75 MMP1 (0.41) KMT2ATRPM8MMP2MMP9MEN1
SCHEMBL11372492 0.75 MMP1 (0.41) KMT2ATRPM8MMP2MMP9MEN1

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
CN-111944778-B Glutamine transaminase mutant and encoding gene and application thereof 安徽医学高等专科学校 2022-06-21 CN disclosed