SCHEMBL7980960

SCHEMBL7980960

CSc1c(C)cc(C(C)=O)c(C)c1-c1cc(C)no1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.34
HCAR2 Q8TDS4 1/20 0.34
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
GLA P06280 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 2/20 0.32
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP19A1 P11511 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL7981965 0.73 MAPT (0.37) KDM4EUSP2ALDH1A1TSHRKMT2A
SCHEMBL5704571 0.68 KDM4E (0.39) KDM4EUSP2ALDH1A1TSHRKMT2A
SCHEMBL7980966 0.67 KDM4E (0.41) KDM4EUSP2ALDH1A1TSHRKMT2A
SCHEMBL7971081 0.67 ALDH1A1 (0.47) KDM4EUSP2ALDH1A1TSHRKMT2A
SCHEMBL5704561 0.66 KDM4E (0.40) KDM4EUSP2ALDH1A1TSHRKMT2A
SCHEMBL5704501 0.66 KDM4E (0.40) KDM4EUSP2ALDH1A1TSHRKMT2A
SCHEMBL6968247 0.66 GAA (0.43) KDM4EUSP2ALDH1A1TSHRKMT2A
SCHEMBL5704574 0.66 ALDH1A1 (0.43) KDM4EUSP2ALDH1A1TSHRKMT2A
SCHEMBL6971843 0.65 CCNC (0.45) KDM4EUSP2ALDH1A1TSHRKMT2A
SCHEMBL6978994 0.64 CCNC (0.43) KDM4EUSP2ALDH1A1TSHRKMT2A

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-6245716-B1 LOW DOSAGE; NONPHYTOTOXIC NIPPON SODA CO., LTD. (JP) 2001-06-12 US disclosed