SCHEMBL5010170

SCHEMBL5010170

CC[CH]c1ccccc1-c1ccccc1-c1ccccc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
ACHE P22303 1/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
BRD4 O60885 1/20 0.34
HEXA P06865 1/20 0.34
HEXB P07686 1/20 0.34
HTR7 P34969 2/20 0.33
DPP4 P27487 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
SCHEMBL5008921 0.98 TSHR (0.41) TSHRALDH1A1CYP1A2KDM4ECYP2C19
SCHEMBL5008803 0.86 TSHR (0.36) TSHRALDH1A1CYP1A2KDM4ECYP2C19
SCHEMBL5012483 0.84 TSHR (0.38) TSHRALDH1A1CYP1A2KDM4ECYP2C19
SCHEMBL369840 0.80 TSHR (0.54) TSHRALDH1A1CYP1A2KDM4ECYP2C19
SCHEMBL5012502 0.79 PTGS2 (0.38) ALDH1A1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL6564122 0.76 ACHE (0.60) TSHRALDH1A1CYP1A2NPC1RAB9A
SCHEMBL1864858 0.74 GRIN2D (0.43) ALDH1A1SMN1; SMN2CASP3SENP8SENP7
SCHEMBL8613228 0.74 ALDH1A1 (0.43) TSHRALDH1A1CYP1A2KDM4ECYP2C19
SCHEMBL1765158 0.74 TSHR (0.67) TSHRALDH1A1CYP1A2KDM4ECYP2C19
SCHEMBL30354037 0.74 ACHE (0.64) TSHRALDH1A1CYP1A2NPC1RAB9A

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
US-20080207864-A1 Organosilanes, Process For Production of the Same, and Use Thereof SHARP KABUSHIKI KAISHA (JP) 2008-08-28 US disclosed