SCHEMBL5012483

SCHEMBL5012483

CCC[CH]c1ccccc1-c1ccccc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 3/20 0.36
CYP2C19 P33261 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TRPA1 O75762 1/20 0.36
NPC1 O15118 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
ACHE P22303 1/20 0.33
HEXA P06865 1/20 0.33
HEXB P07686 1/20 0.33
BRD4 O60885 1/20 0.33
DPP4 P27487 1/20 0.32

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
SCHEMBL5008803 0.98 TSHR (0.36) TSHRALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL5008921 0.86 TSHR (0.41) TSHRALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL5010170 0.84 TSHR (0.40) TSHRALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL1610013 0.84 TSHR (0.48) TSHRALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL5013849 0.79 PTGS2 (0.35) ALDH1A1TRPA1SMN1; SMN2DPP4HTR7
SCHEMBL4720996 0.78 GRIN2D (0.40) ALDH1A1TRPA1SMN1; SMN2DPP4HSD17B10
SCHEMBL6760277 0.77 CNR1 (0.43) ALDH1A1KDM4ESMN1; SMN2HTR7TLR8
SCHEMBL1611497 0.76 TRPA1 (0.37) TSHRALDH1A1CYP1A2TRPA1SMN1; SMN2
SCHEMBL1611320 0.72 TSHR (0.45) TSHRALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL5013832 0.72 CYP2A6 (0.39) TSHRALDH1A1CYP1A2CYP2C19BRD4

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