SCHEMBL21757355

SCHEMBL21757355

CCOc1c(C)cc(Br)c(C)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 3/20 0.35
MAPT P10636 4/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL23586513 0.86 THRB (0.43) THRBALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL19122375 0.80 ALDH1A1 (0.38) THRBALDH1A1MAPTHPGDHSD17B10
SCHEMBL31643870 0.76 CA2 (0.43) ALDH1A1SMN1; SMN2HTTLMNAMAPT
SCHEMBL258754 0.76 CA2 (0.43) ALDH1A1SMN1; SMN2HTTLMNAMAPT
SCHEMBL941531 0.76 KMT2A (0.45) THRBALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL6977984 0.75 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MAPTHPGDHSD17B10
SCHEMBL6981102 0.75 BPTF (0.36) THRBALDH1A1MAPTHPGDHSD17B10
SCHEMBL25328991 0.75 ALDH1A1 (0.45) THRBALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL12440994 0.75 MAPT (0.51) THRBALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL11134220 0.75 THRB (0.41) THRBALDH1A1SMN1; SMN2HTTLMNA

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
WO-2020038464-A1 FIBRIC ACID COMPOUND AND MEDICAL USE THEREOF 北京厚燊药德科技有限责任公司 2020-02-27 WO disclosed