SCHEMBL4309478

SCHEMBL4309478

CCC1Cc2c([nH]c3ccccc23)C(C(=O)O)=CN1C(=O)c1ccc(OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.49
ABCB1 P08183 9/20 0.48
ABCG2 Q9UNQ0 8/20 0.48
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
P2RY1 P47900 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL4299261 0.88 NR1H4 (0.47) NR1H4ABCB1ABCG2
SCHEMBL274734 0.88 NR1H4 (0.56) NR1H4ABCB1ABCG2DRD2DRD3
SCHEMBL4311157 0.84 NR1H4 (0.49) NR1H4ABCB1ABCG2
SCHEMBL4306792 0.81 HPGD (0.45) MEN1KMT2AKDM4ELMNA
SCHEMBL273929 0.78 NR1H4 (0.61) NR1H4ABCB1ABCG2
SCHEMBL272997 0.78 NR1H4 (0.61) NR1H4ABCB1ABCG2KDM4E
SCHEMBL278968 0.78 NR1H4 (0.69) NR1H4ABCB1ABCG2KDM4E
SCHEMBL274613 0.78 NR1H4 (0.57) NR1H4ABCG2KDM4E
SCHEMBL275430 0.78 NR1H4 (0.57) NR1H4ABCB1ABCG2
SCHEMBL4302795 0.77 ABCG2 (0.43) NR1H4ABCB1ABCG2MEN1KMT2A

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-7595311-B2 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents EXELIXIS, INC. (US) 2009-09-29 US claimed