SCHEMBL4197290

SCHEMBL4197290

Cc1ccc(C)c(C(=O)c2ccc(Cl)cc2Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.54
PPARA Q07869 1/20 0.54
SMN1; SMN2 Q16637 5/20 0.52
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.50
CASP1 P29466 1/20 0.50
MAPT P10636 3/20 0.49
SRD5A2 P31213 1/20 0.49
FLT1 P17948 3/20 0.48
FLT4 P35916 3/20 0.48
KDR P35968 3/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL11849847 0.91 SMN1; SMN2 (0.55) SMN1; SMN2RAB9ANPC1TSHRCASP1
SCHEMBL6941354 0.87 TP53 (0.50) PPARGPPARASMN1; SMN2RAB9ANPC1
SCHEMBL5174489 0.84 CYP3A4 (0.50) PPARGPPARASMN1; SMN2RAB9ANPC1
SCHEMBL10395930 0.84 RECQL (0.62) PPARGPPARASMN1; SMN2RAB9ANPC1
SCHEMBL21550127 0.82 SMN1; SMN2 (0.50) PPARGPPARASMN1; SMN2RAB9ANPC1
SCHEMBL23070442 0.82 HPGD (0.53) SMN1; SMN2RAB9ANPC1TP53MAPT
SCHEMBL1502321 0.82 ALDH1A1 (0.48) SMN1; SMN2RAB9ANPC1TP53TSHR
SCHEMBL30185351 0.82 SMN1; SMN2 (0.71) PPARGSMN1; SMN2RAB9ATP53TSHR
SCHEMBL195020 0.82 SMN1; SMN2 (0.71) PPARGSMN1; SMN2RAB9ATP53TSHR
SCHEMBL9862051 0.82 MEN1 (0.57) SMN1; SMN2NPC1TSHRMAPTHSD17B10

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
EP-2027307-A2 PROCESS FOR PREPARING POROUS METAL ORGANIC FRAMEWORKS BASF SE (DE) 2009-02-25 EP disclosed
WO-2007131948-A2 PROCESS FOR PREPARING POROUS METAL ORGANIC FRAMEWORKS BASF SE (DE) 2007-11-22 WO disclosed