SCHEMBL27459693

SCHEMBL27459693

[Li]CCC(C)CCc1ccc(N(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
TSHR P16473 3/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CALM1 P0DP23 2/20 0.41
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CHKA P35790 3/20 0.39
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36

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
SCHEMBL27459694 0.84 CNR2 (0.42) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL13886433 0.79 ALDH1A1 (0.54) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL27459335 0.79 ALDH1A1 (0.45) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL22930057 0.78 ALDH1A1 (0.41) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL4405018 0.73 ALDH1A1 (0.70) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL3809194 0.73 ALDH1A1 (0.47) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL22930079 0.71 ESR1 (0.43) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL15144852 0.70 AOC3 (0.44) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL14074804 0.69 ALDH1A1 (0.52) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL6310153 0.69 ALDH1A1 (0.64) ALDH1A1TSHRCYP3A4MAPK1TDP1

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
CN-1122050-C Process of solution polymerizing for preparing styrene-butadiene or butadiene HANKOOK TIRE MFG CO LTD (KR) 2003-09-24 CN disclosed
CN-1266067-A Process of solution polymerizing for preparing styrene-butadiene or butadiene HANKOOK TIRE MFG CO LTD (KR) 2000-09-13 CN disclosed