SCHEMBL28039210

SCHEMBL28039210

[O]CC1=C(c2ccccc2)CCCC1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.39
ALOX15 P16050 1/20 0.39
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CFTR P13569 2/20 0.36
GOPC Q9HD26 2/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
FGF23 Q9GZV9 1/20 0.35
PTGS2 P35354 1/20 0.35
CTRB1 P17538 1/20 0.35
HAO1 Q9UJM8 1/20 0.34
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
BRD4 O60885 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 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
SCHEMBL14653402 0.76 IGF1R (0.50) IGF1RALOX15TP53L3MBTL1CFTR
SCHEMBL28835484 0.71 IGF1R (0.38) IGF1RALOX15TP53L3MBTL1CFTR
SCHEMBL28512805 0.70 IGF1R (0.37) IGF1RALOX15TP53L3MBTL1CFTR
SCHEMBL15758247 0.70 IGF1R (0.46) IGF1RALOX15TP53L3MBTL1CFTR
SCHEMBL361599 0.67 DDB1 (0.48) IGF1RALOX15TP53L3MBTL1CFTR
SCHEMBL5217153 0.65 DDB1 (0.46) IGF1RALOX15TP53L3MBTL1CFTR
SCHEMBL170541 0.65 IGF1R (0.41) IGF1RALOX15TP53L3MBTL1CFTR
SCHEMBL933741 0.65 DDB1 (0.46) IGF1RALOX15TP53L3MBTL1CFTR
SCHEMBL28127051 0.64 IGF1R (0.47) IGF1RALOX15TP53L3MBTL1DDB1
SCHEMBL9469683 0.63 DDB1 (0.45) CFTRGOPCDDB1CRBNPTGS2

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
CN-105164184-A Curable polysiloxane coating compositions 3M INNOVATIVE PROPERTIES CO 2015-12-16 CN disclosed