SCHEMBL7941454

SCHEMBL7941454

CC(=O)c1cccc2cc3ccccc3c(CO)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 5/20 0.41
GAA P10253 1/20 0.41
POLB P06746 3/20 0.41
GPR35 Q9HC97 2/20 0.41
HPGD P15428 4/20 0.41
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
HTR2A P28223 1/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
CYP1A2 P05177 3/20 0.39
HSD17B10 Q99714 2/20 0.39
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
GLA P06280 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTPN1 P18031 1/20 0.38
NSD2 O96028 1/20 0.38

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
Acetic Acid SCHEMBL2222014 0.79 ALDH1A1 (0.52) ALDH1A1KDM4EGAAPOLBGPR35
Methane SCHEMBL7941457 0.78 MAPT (0.47) ALDH1A1KDM4EGAAPOLBGPR35
SCHEMBL7939364 0.78 HTR2A (0.42) ALDH1A1KDM4EPOLBGPR35HPGD
SCHEMBL30095985 0.78 CYP1A2 (0.47) ALDH1A1KDM4EHPGDMAPTL3MBTL1
SCHEMBL1070803 0.78 CYP1A2 (0.47) ALDH1A1KDM4EHPGDMAPTL3MBTL1
SCHEMBL7938127 0.76 ALDH1A1 (0.52) ALDH1A1KDM4EGAAPOLBGPR35
SCHEMBL7938146 0.74 L3MBTL1 (0.48) ALDH1A1KDM4EPOLBGPR35HPGD
SCHEMBL7939115 0.74 L3MBTL1 (0.44) ALDH1A1KDM4EPOLBGPR35HPGD
SCHEMBL7938133 0.74 HTR2A (0.48) ALDH1A1KDM4EGAAPOLBGPR35
Ethane SCHEMBL1070226 0.74 HTR2A (0.56) ALDH1A1KDM4EGAAPOLBGPR35

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-6242161-B1 ABSORPTION COATINGS USING COPOLYMERS JSR CORPORATION (JP) 2001-06-05 US disclosed