SCHEMBL7712840

SCHEMBL7712840

CCOC(=O)C1=Cc2cccc(Cl)c2CCC1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.37
POLB P06746 2/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 6/20 0.37
ALDH1A1 P00352 5/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C9 P11712 4/20 0.37
HSD17B10 Q99714 3/20 0.37
GAA P10253 3/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2C19 P33261 3/20 0.37
CYP1A2 P05177 3/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HIF1A Q16665 2/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL7708991 0.82 NOTUM (0.35) TSHRALDH1A1CYP3A4CYP1A2MEN1
SCHEMBL7708905 0.70 TAS1R3 (0.31) LMNANPSR1
SCHEMBL7708915 0.70 ACHE (0.36) KDM4EALDH1A1HSD17B10MAPTLMNA
SCHEMBL15679176 0.69 SIRT3 (0.49) TSHRL3MBTL1KDM4EALDH1A1MAPK1
SCHEMBL18204508 0.67 TLR4 (0.41) TSHRPOLBL3MBTL1TDP1KDM4E
SCHEMBL18204540 0.66 TLR4 (0.51) TSHRPOLBL3MBTL1TDP1KDM4E
SCHEMBL1338586 0.66 FFAR1 (0.44) TSHRPOLBL3MBTL1TDP1KDM4E
SCHEMBL26308105 0.66 FFAR1 (0.44) TSHRPOLBL3MBTL1TDP1KDM4E
SCHEMBL8493097 0.66 CA12 (0.66) TSHRL3MBTL1TDP1KDM4EALDH1A1
SCHEMBL7248725 0.65 ALDH1A1 (0.41) TSHRPOLBL3MBTL1TDP1KDM4E

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
US-6369110-B1 PROPHYLACTIC AGENT FOR DISEASES CAUSED BY THE ACCELERATION OF THE SODIUM/PROTON EXCHANGE TRANSPORT SYSTEM SUMITOMO PHARMACEUTICALS COMPANY (JP) 2002-04-09 US disclosed
EP-1083166-A1 NOVEL SUBSTITUTED GUANIDINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-03-14 EP disclosed