SCHEMBL8599685

SCHEMBL8599685

CCN(C(=O)C(C)(C)OC)c1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCL2A1 Q16548 1/20 0.42
TP53 P04637 1/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TSHR P16473 3/20 0.37
ALDH1A1 P00352 2/20 0.37
GLA P06280 1/20 0.37
LMNA P02545 4/20 0.35
CYP3A4 P08684 3/20 0.35
ESR1 P03372 1/20 0.35
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL28168927 0.78 TP53 (0.46) BCL2A1TP53MEN1KMT2ATSHR
SCHEMBL11529 0.78 ALDH1A1 (0.58) TP53MEN1KMT2ATSHRALDH1A1
SCHEMBL11064072 0.76 TP53 (0.54) BCL2A1TP53MEN1KMT2ATSHR
SCHEMBL8041152 0.76 TP53 (0.50) BCL2A1TP53MEN1KMT2ATSHR
SCHEMBL5353991 0.75 PPARG (0.45) BCL2A1LMNA
SCHEMBL9445898 0.72 CYP3A4 (0.50) TP53MEN1KMT2ATSHRALDH1A1
SCHEMBL5363131 0.72 PPARA (0.48)
SCHEMBL7731826 0.72 CYP3A4 (0.56) TP53MEN1KMT2ATSHRALDH1A1
SCHEMBL2754161 0.72 TP53 (0.46) BCL2A1TP53MEN1KMT2ATSHR
SCHEMBL30301251 0.70 CYP3A4 (0.70) BCL2A1TP53MEN1KMT2ATSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998006780-A1 STABILIZER ADDITIVE FOR AGCHEMICAL TANK MIX ISP INVESTMENTS INC. (US) 1998-02-19 WO disclosed
EP-0707444-A1 STABLE EMULSIFIABLE GEL MATRIX FOR FORMING GEL CONCENTRATE WITH AGRICULTURAL CHEMICAL, AND AQUEOUS MACROEMULSION THEREFROM ISP INVESTMENTS INC. (US) 1996-04-24 EP disclosed
WO-1995001723-A1 STABLE EMULSIFIABLE GEL MATRIX FOR FORMING GEL CONCENTRATE WITH AGRICULTURAL CHEMICAL, AND AQUEOUS MACROEMULSION THEREFROM ISP INVESTMENTS INC. (US) 1995-01-19 WO disclosed