SCHEMBL7980966

SCHEMBL7980966

CCC(=O)c1cc(C)c(SC)c(-c2cc(C)no2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 2/20 0.36
POLB P06746 3/20 0.34
TP53 P04637 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
TMEM97 Q5BJF2 5/20 0.33
MAPT P10636 2/20 0.33
BRD4 O60885 1/20 0.33
SIGMAR1 Q99720 3/20 0.32
KCNH2 Q12809 1/20 0.32
PPARA Q07869 1/20 0.32
HTT P42858 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP19A1 P11511 1/20 0.32

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
SCHEMBL7980962 0.85 ALDH1A1 (0.43) KDM4EUSP2ALDH1A1TSHRKMT2A
SCHEMBL27677668 0.78 PPARA (0.42) ALDH1A1KMT2AMEN1MAPK1MAPT
SCHEMBL7980960 0.67 KDM4E (0.39) KDM4EUSP2ALDH1A1TSHRKMT2A
SCHEMBL10072233 0.66 HCAR2 (0.64) USP2ALDH1A1KMT2AMEN1POLB
SCHEMBL9720573 0.64 PPARA (0.46) KDM4EALDH1A1TSHRKMT2AMEN1
SCHEMBL7981965 0.63 MAPT (0.37) KDM4EUSP2ALDH1A1TSHRKMT2A
SCHEMBL17290815 0.62 KMT2A (0.38) KDM4EALDH1A1KMT2AMEN1MAPK1
SCHEMBL6812056 0.62 KMT2A (0.51) ALDH1A1KMT2AMEN1MAPTPPARA
SCHEMBL28135125 0.62 MAPT (0.41) ALDH1A1TSHRKMT2AMEN1MAPK1
SCHEMBL17826360 0.61 PPARA (0.44) KDM4EALDH1A1TSHRKMT2AMEN1

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