SCHEMBL30445649

SCHEMBL30445649

Cc1nc(-c2ccccc2)cc(C(=O)O)c1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
KDM4E B2RXH2 2/20 0.57
HSD17B10 Q99714 2/20 0.57
PDE10A Q9Y233 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 1/20 0.57
DHODH Q02127 6/20 0.54
PPARA Q07869 1/20 0.52
LDHA P00338 1/20 0.51
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
HIF1A Q16665 1/20 0.50
POLB P06746 1/20 0.48
RXFP1 Q9HBX9 2/20 0.47
FABP3 P05413 1/20 0.47
FABP4 P15090 1/20 0.47
PRNP P04156 1/20 0.47
PPARG P37231 1/20 0.47
NR2E3 Q9Y5X4 1/20 0.47

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
SCHEMBL2806171 1.00 ALDH1A1 (0.63) ALDH1A1KDM4EHSD17B10PDE10ASMN1; SMN2
SCHEMBL8875286 0.81 KDM4E (0.58) ALDH1A1KDM4EHSD17B10PDE10ASMN1; SMN2
SCHEMBL9784596 0.81 ALDH1A1 (0.51) ALDH1A1KDM4EHSD17B10PDE10ASMN1; SMN2
SCHEMBL18362838 0.80 KDM4E (0.57) ALDH1A1KDM4EHSD17B10PDE10ASMN1; SMN2
SCHEMBL4429929 0.77 ALDH1A1 (1.00) ALDH1A1KDM4EHSD17B10PDE10ASMN1; SMN2
SCHEMBL8878224 0.77 MAPT (0.51) ALDH1A1KDM4ESMN1; SMN2DHODH
SCHEMBL20346110 0.75 KDM4E (0.56) ALDH1A1KDM4EHSD17B10PDE10ASMN1; SMN2
SCHEMBL31633618 0.74 ALDH1A1 (0.50) ALDH1A1KDM4EHSD17B10PDE10ASMN1; SMN2
SCHEMBL8874266 0.74 ALDH1A1 (0.50) ALDH1A1KDM4EHSD17B10PDE10ASMN1; SMN2
SCHEMBL20306790 0.74 ALDH1A1 (0.51) ALDH1A1KDM4EHSD17B10PDE10ASMN1; SMN2

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
CN-116322616-A Hair lightening compositions providing damage protection and sensory benefits and methods of use 欧莱雅 2023-06-23 CN disclosed