SCHEMBL7994903

SCHEMBL7994903

C=Cn1ccc(C)n1.C=Cn1ccnc1C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HCRTR1 O43613 1/20 0.34
USP2 O75604 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL36575 0.82
SCHEMBL536550 0.82
Hydrochloric Acid SCHEMBL1007846 0.80
SCHEMBL28815407 0.75 LMNA (0.44) LMNATDP1GAASMN1; SMN2HCRTR1
Acrylamide SCHEMBL11786592 0.70 LMNA (0.40) LMNATDP1GAASMN1; SMN2HCRTR1
Quinoline SCHEMBL28065865 0.69 ALDH1A1 (0.52) LMNATDP1GAASMN1; SMN2HCRTR1
Imidazole SCHEMBL11036126 0.68 ALDH1A1 (0.42) LMNATDP1GAASMN1; SMN2HCRTR1
SCHEMBL5164997 0.68 LMNA (0.38) LMNATDP1GAASMN1; SMN2CYP3A4
Acrylic Acid SCHEMBL11792959 0.67 LMNA (0.37) LMNATDP1GAASMN1; SMN2HCRTR1
Acrylic Acid Methyl Ester SCHEMBL15637879 0.67 TDP1 (0.37) LMNATDP1GAASMN1; SMN2CYP3A4

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-6300289-B1 GRAFT COPOLYMER REACTION PRODUCT WITH NITROGENOUS ETHYLENICALLY UNSATURATED ALIPHATIC OR AROMATIC COMPOUNDS CASTROL LIMITED (GB) 2001-10-09 US claimed