SCHEMBL4652863

SCHEMBL4652863

CCCCCCCCCCCc1c(C(=O)O)sc2ccc(C)cc12

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.59
MCL1 Q07820 6/20 0.47
BCL2L1 Q07817 4/20 0.46
BCL2 P10415 3/20 0.45
BAD Q92934 3/20 0.45
PLK1 P53350 8/20 0.43
LDHA P00338 1/20 0.42
LDHB P07195 1/20 0.42
PLK3 Q9H4B4 2/20 0.41

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
SCHEMBL1254637 0.87 GPR35 (0.62) GPR35MCL1BCL2L1BCL2BAD
SCHEMBL1254639 0.87 GPR35 (0.62) GPR35MCL1BCL2L1BCL2BAD
SCHEMBL4651563 0.86 ALDH1A1 (0.46) GPR35MCL1
SCHEMBL4650811 0.81 PLK1 (0.53) PLK1PLK3
SCHEMBL12430808 0.80 MAPT (0.43) GPR35PLK1PLK3
SCHEMBL4652862 0.80 GPR35 (0.47) GPR35MCL1BCL2L1PLK1LDHA
SCHEMBL3340064 0.79 GPR35 (0.56) GPR35MCL1BCL2L1BCL2BAD
SCHEMBL6616990 0.77 MCL1 (0.65) GPR35MCL1BCL2L1BCL2BAD
SCHEMBL9486183 0.77 EIF4A1 (0.47) GPR35MCL1BCL2L1BCL2BAD
Hydrochloric Acid SCHEMBL9487425 0.76 EIF4A1 (0.46) GPR35MCL1BCL2L1BCL2BAD

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-1972624-A1 Benzoxazinones and their use as ultraviolet light absorbers Clariant International Ltd. (CH) 2008-09-24 EP disclosed