SCHEMBL4742572

SCHEMBL4742572

CC(Cl)(C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
PPARA Q07869 4/20 0.55
CYP1A2 P05177 3/20 0.55
CYP2C19 P33261 2/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
MAPT P10636 1/20 0.55
POLB P06746 1/20 0.48
MIF P14174 1/20 0.48
PPARG P37231 3/20 0.47
FABP2 P12104 2/20 0.47
SLC22A12 Q96S37 1/20 0.47
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
CYP2C9 P11712 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL5473988 0.83 TSHR (0.46) MEN1KMT2APPARACYP1A2CYP2C19
SCHEMBL27486196 0.83 ESR1 (0.50) MEN1KMT2APPARACYP1A2CYP2C19
SCHEMBL29613223 0.82 CYP1A2 (0.60) MEN1KMT2APPARACYP1A2CYP2C19
SCHEMBL305060 0.82 CYP1A2 (0.60) MEN1KMT2APPARACYP1A2CYP2C19
SCHEMBL16753453 0.82 CYP1A2 (0.60) MEN1KMT2APPARACYP1A2CYP2C19
SCHEMBL1625391 0.80 MEN1 (0.54) MEN1KMT2APPARACYP1A2CYP2C19
SCHEMBL11625903 0.80 KMT2A (0.54) MEN1KMT2APPARACYP1A2CYP2C19
SCHEMBL697244 0.80 MAP4K4 (0.55) MEN1KMT2APPARACYP1A2CYP2C19
SCHEMBL568903 0.78 KMT2A (0.58) MEN1KMT2APPARACYP1A2CYP2C19
SCHEMBL3557871 0.78 KMT2A (0.52) MEN1KMT2APPARACYP1A2CYP2C19

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
WO-2008090357-A2 N, N; -SUBSTITUTED PIPERAZINES BINDING TO MELANOCORTIN RECEPTOR PALATIN TECHNOLOGIES, INC. (US) 2008-07-31 WO disclosed