SCHEMBL9715227

SCHEMBL9715227

C[SiH](C)[Ti](C1=CC=CC1)C1=CC=CC1.c1ccc(CCc2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.33
MAOB P27338 3/20 0.33
KCNH2 Q12809 2/20 0.33
TAAR1 Q96RJ0 3/20 0.32
ATM Q13315 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
CYP2A6 P11509 1/20 0.31
HTR2A P28223 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31

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
Biphenyl SCHEMBL27458841 0.84 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2
SCHEMBL4576630 0.80
Hydrochloric Acid SCHEMBL9421178 0.80
SCHEMBL7030963 0.79 MAOA (0.35) MAOAMAOBKCNH2TAAR1ATM
SCHEMBL7634976 0.79 PNMT (0.34) ALDH1A1CASP1HSD17B10
SCHEMBL7035040 0.77 KCNH2 (0.37) MAOAMAOBKCNH2TAAR1ATM
SCHEMBL61673 0.75 MAOA (0.38) MAOAMAOBKCNH2TAAR1ATM
SCHEMBL7628897 0.73 SIGMAR1 (0.33) KCNH2
SCHEMBL7520963 0.72 TP53 (0.33) ALDH1A1
SCHEMBL8714826 0.70 TP53 (0.32) MAOATAAR1CYP2A6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4249503-A None JP disclosed
JP-H04249503-A PREPARATION OF STYRENIC POLYMER AND CATALYST THEREFOR IDEMITSU KOSAN CO LTD 1992-09-04 JP disclosed