SCHEMBL4823679

SCHEMBL4823679

O=C(O)CCC(NC(=O)[C@H](Cc1ccc(-c2cccc(C(F)(F)F)c2)cc1)NC(=O)c1cc(-c2ccc(F)c(Cl)c2)ccc1O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIFC1 Q9BW19 9/20 0.49
MME P08473 1/20 0.46
CDK2 P24941 1/20 0.45
ITGB1 P05556 2/20 0.44
ITGA4 P13612 2/20 0.44
CTNNB1 P35222 2/20 0.43
GPR34 Q9UPC5 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
ITGB7 P26010 1/20 0.42
ECE1 P42892 2/20 0.42
HPGD P15428 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
SCHEMBL4823683 1.00 KIFC1 (0.49) KIFC1MMECDK2ITGB1ITGA4
SCHEMBL4829768 0.92 KIFC1 (0.51) KIFC1MMECDK2ITGB1ITGA4
SCHEMBL4829763 0.92 KIFC1 (0.51) KIFC1MMECDK2ITGB1ITGA4
SCHEMBL4827800 0.92 KIFC1 (0.58) KIFC1CDK2ITGB1ITGA4GPR34
SCHEMBL4827802 0.92 KIFC1 (0.58) KIFC1CDK2ITGB1ITGA4GPR34
SCHEMBL4832021 0.91 KIFC1 (0.55) KIFC1CDK2ITGB1ITGA4GPR34
SCHEMBL4832015 0.91 KIFC1 (0.55) KIFC1CDK2ITGB1ITGA4GPR34
SCHEMBL4831602 0.91 KIFC1 (0.48) KIFC1MMECDK2ITGB1ITGA4
SCHEMBL4831606 0.91 KIFC1 (0.48) KIFC1MMECDK2ITGB1ITGA4
SCHEMBL3972237 0.90 KIFC1 (0.59) KIFC1MMECDK2ITGB1ITGA4

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-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 US disclosed