SCHEMBL31458441

SCHEMBL31458441

C=CCN[C@@](C)(C(=O)O)c1cc2ccccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 2/20 0.40
IDO1 P14902 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AHR P35869 1/20 0.39
MAPT P10636 1/20 0.39
DAO P14920 1/20 0.39
SRD5A2 P31213 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
HTR2C P28335 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
ACKR3 P25106 1/20 0.38
SLC22A12 Q96S37 1/20 0.38

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
SCHEMBL12827006 0.73 KDM4E (0.51) KDM4EHPGDALDH1A1IDO1NPC1
SCHEMBL7605830 0.73 IDO1 (0.41) KDM4EHPGDALDH1A1IDO1NPC1
SCHEMBL4661763 0.72 KDM4E (0.50) KDM4EHPGDALDH1A1IDO1NPC1
SCHEMBL15641062 0.72 IDO1 (0.48) KDM4EHPGDALDH1A1IDO1AHR
SCHEMBL28525518 0.71 KDM4E (0.49) KDM4EHPGDALDH1A1IDO1NPC1
SCHEMBL6205544 0.71 KDM4E (0.49) KDM4EHPGDALDH1A1IDO1NPC1
SCHEMBL518792 0.70 KDM4E (0.47) KDM4EHPGDALDH1A1IDO1NPC1
SCHEMBL31070307 0.69 KDM4E (0.53) KDM4EHPGDALDH1A1IDO1NPC1
SCHEMBL29127015 0.69 KDM4E (0.43) KDM4EHPGDALDH1A1IDO1NPC1
SCHEMBL9577471 0.68 KDM4E (0.49) KDM4EHPGDALDH1A1IDO1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112888707-B T cell receptor constructs and uses thereof 百欧恩泰美国公司 2025-04-25 CN disclosed
CN-111867618-B T cell preparation compositions and methods 百欧恩泰美国公司 2025-03-04 CN disclosed