SCHEMBL29924966

SCHEMBL29924966

CC[C@H](O)CNc1cc(C(=O)OC)ccc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 7/20 0.53
ERAP2 Q6P179 3/20 0.53
HDAC1 Q13547 1/20 0.48
KDM4E B2RXH2 6/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 6/20 0.47
ALDH1A1 P00352 5/20 0.47
GAA P10253 3/20 0.47
HSD17B10 Q99714 2/20 0.47
HPGD P15428 2/20 0.47
GLA P06280 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
ATM Q13315 1/20 0.47
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
PTGER4 P35408 1/20 0.41

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
SCHEMBL28353995 0.85 LNPEP (0.53) LNPEPERAP2HDAC1KDM4EKMT2A
SCHEMBL2014323 0.83 LNPEP (0.56) LNPEPERAP2HDAC1KDM4EKMT2A
SCHEMBL26237173 0.82 LNPEP (0.51) LNPEPERAP2HDAC1KDM4EKMT2A
SCHEMBL28754420 0.82 LNPEP (0.49) LNPEPERAP2HDAC1KDM4EKMT2A
SCHEMBL1205232 0.80 LNPEP (0.57) LNPEPERAP2HDAC1KDM4EKMT2A
SCHEMBL31143248 0.80 KMT2A (0.52) KDM4EKMT2AMAPTALDH1A1LMNA
SCHEMBL24265280 0.79 HDAC1 (0.53) LNPEPERAP2HDAC1KDM4EMAPT
SCHEMBL763198 0.78 LNPEP (0.62) LNPEPERAP2HDAC1KDM4EMAPT
SCHEMBL23703823 0.76 LNPEP (0.51) LNPEPERAP2HDAC1KDM4EKMT2A
SCHEMBL23286924 0.76 LNPEP (0.48) LNPEPERAP2HDAC1KDM4EKMT2A

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
WO-2022228490-A1 POLYCYCLIC DERIVATIVE MODULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2022-11-03 WO disclosed