SCHEMBL4531941

SCHEMBL4531941

CCCC(CC(=O)O)NC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 6/20 0.44
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
CRAT P43155 1/20 0.39
GPR84 Q9NQS5 4/20 0.38
GNPAT O15228 1/20 0.38
CHRM1 P11229 1/20 0.38
AKR1A1 P14550 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PLA2G2A P14555 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL7944471 0.88 PLA2G2C (0.54) PLA2G2CGPR84GNPATPLA2G2A
SCHEMBL14090829 0.88 PLA2G2C (0.54) PLA2G2CGPR84GNPATPLA2G2A
SCHEMBL6464991 0.88 PLA2G2C (0.54) PLA2G2CGPR84GNPATPLA2G2A
SCHEMBL10936490 0.84 CRAT (0.45) PLA2G2CCRATGNPATTDP1KDM4E
SCHEMBL10033481 0.84 TAS1R3 (0.50) PLA2G2CTAS1R3TAS1R1CRATCHRM1
SCHEMBL4211648 0.83 PLA2G10 (0.40) PLA2G2CCRATGPR84GNPATCHRM1
SCHEMBL25833441 0.83 PLA2G2C (0.51) PLA2G2CCRATGNPAT
SCHEMBL1144276 0.83 CRAT (0.41) PLA2G2CCRATGNPATTDP1KDM4E
SCHEMBL7731906 0.83 CRAT (0.41) PLA2G2CCRATGNPATTDP1KDM4E
SCHEMBL1144295 0.83 CRAT (0.41) PLA2G2CCRATGNPATTDP1KDM4E

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-119977829-A Quick synthesis method of beta-amino acid derivative 华南理工大学 2025-05-13 CN disclosed
US-8663639-B2 Formulations for treating ocular diseases and conditions SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-03-04 US disclosed
US-20090074786-A1 FORMULATIONS FOR TREATING OCULAR DISEASES AND CONDITIONS MACUSIGHT, INC. (US) 2009-03-19 US disclosed
US-6399787-B1 TRANSITION METAL COMPLEX PENN STATE RESEARCH FOUNDATION 2002-06-04 US disclosed
WO-1999059721-A1 CATALYTIC ASYMMETRIC HYDROGENATION, HYDROFORMYLATION, AND HYDROVINYLATION VIA TRANSITION METAL CATALYSTS WITH PHOSPHINES AND PHOSPHITES THE PENN STATE RESEARCH FOUNDATION (US) 1999-11-25 WO disclosed