SCHEMBL4572063

SCHEMBL4572063

Cc1ccc(C(=O)O)cc1C1CCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.46
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 3/20 0.44
TDP1 Q9NUW8 1/20 0.42
CREBBP Q92793 1/20 0.42
S1PR1 P21453 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RARG P13631 2/20 0.40
RARB P10826 1/20 0.40
MYC P01106 1/20 0.40
ESR1 P03372 1/20 0.40
ALOX15 P16050 1/20 0.40
PTPN7 P35236 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL18304697 0.95 KMO (0.53) KMOGAASMN1; SMN2TSHRTDP1
SCHEMBL10148085 0.93 CREBBP (0.47) KMOGAASMN1; SMN2TSHRTDP1
SCHEMBL4946903 0.83 KMO (0.54) KMOGAASMN1; SMN2TSHRTDP1
SCHEMBL4951622 0.81 KMO (0.57) KMOGAASMN1; SMN2TSHRTDP1
SCHEMBL29470084 0.81 CAMKK2 (0.49) KMOALDH1A1
SCHEMBL14273033 0.81 KDM4E (0.52) KMOGAACREBBPHTTALDH1A1
SCHEMBL2445552 0.81 CAMKK2 (0.49) KMOALDH1A1
SCHEMBL26091255 0.80 CHRNA1 (0.42)
SCHEMBL26091247 0.80 CHRNA1 (0.42)
SCHEMBL10148368 0.79 CREBBP (0.50) KMOGAASMN1; SMN2TSHRTDP1

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
EP-2452679-A1 CYTOPROTECTIVE AGENT National University Corporation Tokyo University Of Agriculture and Technology (JP) 2012-05-16 EP disclosed