SCHEMBL28068405

SCHEMBL28068405

CCc1c(C(=O)O)c(O)c2cc(C)cc(C)c2c1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 6/20 0.40
LDHB P07195 6/20 0.40
FABP3 P05413 2/20 0.39
FABP4 P15090 2/20 0.39
FABP5 Q01469 1/20 0.39
DHODH Q02127 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.38
GFER P55789 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PIM1 P11309 1/20 0.36
PRNP P04156 1/20 0.36
PPARG P37231 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NR2E3 Q9Y5X4 1/20 0.36
NCOR2 Q9Y618 1/20 0.36

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
SCHEMBL28068348 0.78 KDM4E (0.43) FABP3FABP4FABP5DHODHKDM4E
SCHEMBL28068267 0.78 FABP4 (0.45) LDHALDHBFABP3FABP4FABP5
SCHEMBL28261481 0.73 THRB (0.44) LDHALDHBDHODHKDM4EMEN1
SCHEMBL5588862 0.71 LDHA (0.41) LDHALDHBFABP3FABP4FABP5
SCHEMBL28068483 0.70 PRNP (0.40) FABP3FABP4FABP5DHODHKDM4E
SCHEMBL27308291 0.70 ALDH1A1 (0.43) LDHAFABP3FABP4FABP5DHODH
SCHEMBL7664295 0.70 LMNA (0.45) FABP3FABP4FABP5DHODHKDM4E
SCHEMBL28853099 0.69 PTPN1 (0.49) LDHAKDM4EMEN1ALDH1A1HPGD
SCHEMBL5587371 0.69 ESR1 (0.42) LDHALDHBFABP3FABP4FABP5
SCHEMBL28392917 0.69 ALDH1A1 (0.44) FABP3FABP4FABP5DHODHKDM4E

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-105566110-A Synthesis method of polysubstituted 1-naphthol and derivatives thereof UNIV NANKAI 2016-05-11 CN disclosed