SCHEMBL7197697

SCHEMBL7197697

C=C(CCC)c1ccc(C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
LMNA P02545 3/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
GSK3B P49841 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HSD17B3 P37058 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
PKM P14618 2/20 0.37
HTT P42858 2/20 0.37
ATM Q13315 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MEN1 O00255 2/20 0.37
HPGD P15428 1/20 0.37
NLRP1 Q9C000 1/20 0.37
GAA P10253 1/20 0.37
NTSR1 P30989 1/20 0.37
NPC1 O15118 1/20 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
SCHEMBL7193415 0.87 ALDH1A1 (0.44) ALDH1A1LMNACES2CES1KMT2A
SCHEMBL19042193 0.85 L3MBTL1 (0.46) ALDH1A1LMNACES2CES1KMT2A
SCHEMBL8730860 0.84 TDP1 (0.46) ALDH1A1LMNACES2CES1KMT2A
SCHEMBL2010661 0.84 L3MBTL1 (0.49) ALDH1A1LMNACES2CES1L3MBTL1
SCHEMBL9627145 0.82 HSD17B3 (0.57) ALDH1A1LMNAKMT2ASMN1; SMN2HSD17B3
SCHEMBL5704306 0.81 ALDH1A1 (0.44) ALDH1A1LMNACES2CES1KMT2A
SCHEMBL23192702 0.80 KMT2A (0.39) ALDH1A1LMNACES2CES1KMT2A
SCHEMBL22335232 0.80 CYP1A2 (0.41) ALDH1A1LMNACES2CES1KMT2A
SCHEMBL14330440 0.80 CYP19A1 (0.45) ALDH1A1LMNAHSD17B3NPC1RAB9A
SCHEMBL10415925 0.80 MAOA (0.52) ALDH1A1LMNACES2CES1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2189477-B1 Radiation curable compositions for food applications AGFA GRAPHICS NV (BE) 2017-07-19 EP disclosed
US-6534595-B2 Blend of thermosetting resin, decomposable resin and solvent SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-18 US disclosed
US-20010038887-A1 Coating solution for forming porous organic film SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-11-08 US disclosed