SCHEMBL9761834

SCHEMBL9761834

Cc1ccc2c(C(=O)C(=O)O)c(C)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
LMNA P02545 2/20 0.49
GAA P10253 2/20 0.49
CYP1A2 P05177 5/20 0.43
CYP2A6 P11509 5/20 0.40
LDHA P00338 2/20 0.40
LDHB P07195 2/20 0.40
ALB P02768 1/20 0.40
MPL P40238 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
PIN1 Q13526 1/20 0.37
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
GLA P06280 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL931068 0.86 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDHSD17B10LMNA
Ethylene SCHEMBL28494344 0.83 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL8679714 0.81 LMNA (0.50) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL8755670 0.80 NPSR1 (0.47) ALDH1A1KDM4EHPGDHSD17B10LMNA
Propene SCHEMBL28492822 0.79 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL30623601 0.74 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL10111010 0.74 CYP1A2 (0.53) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL19203353 0.74 CSNK2A1 (0.52) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL9002807 0.73 CYP2A6 (0.50) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL7144236 0.73 LDHA (0.50) ALDH1A1KDM4EHPGDHSD17B10LMNA

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-4983756-A DIAGNOSING LIVER, KIDNEY DISORDERS NITTO BOSEKI CO., LTD. (JP) 1991-01-08 US disclosed