SCHEMBL30508997

SCHEMBL30508997

N[C@H](C(=O)O)c1cc2ccccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.54
KDM4E B2RXH2 3/20 0.51
DAO P14920 2/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
SRD5A2 P31213 1/20 0.51
HSD17B10 Q99714 1/20 0.51
FLT3 P36888 3/20 0.49
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
AOC3 Q16853 2/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
IDO1 P14902 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DDO Q99489 1/20 0.43
TP53 P04637 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL8003423 1.00 ALOX5 (0.54) ALOX5KDM4EDAOMAPTHPGD
SCHEMBL10821646 0.85 ALOX5 (0.52) ALOX5KDM4EDAOMAPTHPGD
SCHEMBL15416243 0.82 KDM4E (0.55) ALOX5KDM4EDAOMAPTHPGD
Alanine SCHEMBL28826582 0.82 ALOX5 (0.57) ALOX5KDM4EDAOMAPTHPGD
SCHEMBL25275820 0.81 ALOX5 (0.59) ALOX5KDM4EDAOMAPTHPGD
SCHEMBL9868223 0.81 KDM4E (0.53) ALOX5KDM4EDAOMAPTHPGD
SCHEMBL11162644 0.81 ALOX5 (0.46) ALOX5KDM4EDAOMAPTHPGD
SCHEMBL1767751 0.79 ALOX5 (0.57) ALOX5KDM4EDAOMAPTHPGD
SCHEMBL29875597 0.79 ALOX5 (0.57) ALOX5KDM4EDAOMAPTHPGD
SCHEMBL27831047 0.79 ALOX5 (0.50) ALOX5KDM4EDAOMAPTHPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119584979-A Use of kinin or derivatives thereof for the treatment of hypertension, prevention or treatment of complications of hypertension 江苏众红生物工程创药研究院有限公司 2025-03-07 CN disclosed
CN-119367503-A Use of kinin or derivatives thereof for the treatment of hypertension, prevention or treatment of complications of hypertension 江苏众红生物工程创药研究院有限公司 2025-01-28 CN disclosed
CN-118541172-A Use of kinin or derivatives thereof for the treatment of VCI, PSCI or CSVD 江苏众红生物工程创药研究院有限公司 2024-08-23 CN disclosed
CN-116554267-A Polyethylene glycol modified kinin or variant thereof and pharmaceutical use thereof 江苏众红生物工程创药研究院有限公司 2023-08-08 CN disclosed
CN-116549599-A Use of kinin and its derivatives in the treatment of VCI, PSCI or CSVD 江苏众红生物工程创药研究院有限公司 2023-08-08 CN disclosed