SCHEMBL7444229

SCHEMBL7444229

Cc1cc2c(cc1Cl)OC(C(O)CN)CO2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.39
AKR1B1 P15121 1/20 0.35
FFAR1 O14842 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CD44 P16070 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL7439944 0.90 KDM4E (0.35) CA2SMN1; SMN2KMT2AKDM4EALDH1A1
SCHEMBL7434907 0.90 CA2 (0.43) CA2AKR1B1FFAR1SMN1; SMN2KDM4E
SCHEMBL7429632 0.79 KDM4E (0.31) KDM4EALDH1A1GAA
SCHEMBL7439821 0.78 CA2 (0.46) CA2FFAR1
SCHEMBL7438907 0.78 CA2 (0.46) CA2FFAR1SMN1; SMN2KMT2AKDM4E
SCHEMBL7445352 0.78 CA2 (0.40) CA2FFAR1SMN1; SMN2KMT2AKDM4E
SCHEMBL7440217 0.78 CA2 (0.46) CA2FFAR1SMN1; SMN2KMT2AKDM4E
SCHEMBL7431003 0.77 CA2 (0.32) CA2
SCHEMBL7436351 0.77 AHR (0.33) KDM4EALDH1A1GAA
SCHEMBL7436205 0.72 CA2 (0.46) CA2AKR1B1FFAR1SMN1; SMN2KMT2A

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
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed