SCHEMBL18106935

SCHEMBL18106935

CC[Si](CC)(CC)Oc1ccc(Br)c(COc2cc(C)ccc2C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 4/20 0.39
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TDP1 Q9NUW8 3/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 2/20 0.35
CYP2C9 P11712 2/20 0.34
TTR P02766 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C8 P10632 1/20 0.34
CHRM1 P11229 1/20 0.34
ADRA1A P35348 1/20 0.34
PPARG P37231 1/20 0.34
HTR2B P41595 1/20 0.34
PPARA Q07869 1/20 0.34

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
SCHEMBL2294391 0.80 THRA (0.35) FFAR4ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL2290442 0.74 FFAR4 (0.50) FFAR4ALDH1A1HPGDMAPTKMT2A
SCHEMBL30000324 0.74 FFAR4 (0.50) FFAR4ALDH1A1HPGDMAPTKMT2A
SCHEMBL2292173 0.73
SCHEMBL8592978 0.68 SMN1; SMN2 (0.54) ALDH1A1HPGDMAPTKMT2ASMN1; SMN2
SCHEMBL13794084 0.68 KDM4E (0.51) ALDH1A1HPGDMAPTKMT2ASMN1; SMN2
SCHEMBL10293518 0.66 MAOB (0.49) FFAR4ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL2289827 0.66 THRA (0.39) FFAR4ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL27814043 0.66 SMN1; SMN2 (0.51) ALDH1A1HPGDMAPTKMT2ASMN1; SMN2
SCHEMBL3868257 0.66 ACHE (0.44) ALDH1A1MAPTKMT2ASMN1; SMN2NPC1

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-2149545-B1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2016-10-05 EP disclosed