SCHEMBL6495095

SCHEMBL6495095

CC(NC(=O)C1CCNCC1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
ALDH1A1 P00352 2/20 0.39
PADI1 Q9ULC6 1/20 0.38
PADI4 Q9UM07 1/20 0.38
POLB P06746 1/20 0.38
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
TSHR P16473 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35

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
SCHEMBL8297132 1.00 KMT2A (0.39) KMT2AMEN1ALDH1A1PADI1PADI4
SCHEMBL8296041 0.84 PADI1 (0.47) KMT2AMEN1ALDH1A1PADI1PADI4
SCHEMBL6503433 0.84 PADI1 (0.47) KMT2AMEN1ALDH1A1PADI1PADI4
SCHEMBL15000754 0.78 EPHX1 (0.39) KMT2AMEN1ALDH1A1POLBGNAI3
SCHEMBL27498682 0.78 EPHX1 (0.39) KMT2AMEN1ALDH1A1POLBGNAI3
SCHEMBL29790258 0.77 ACACB (0.39) KMT2AMEN1POLBTSHRABCB1
SCHEMBL3919225 0.77 GABRP (0.47) KMT2AMEN1ALDH1A1PADI1PADI4
SCHEMBL8311892 0.77 GABRP (0.47) KMT2AMEN1ALDH1A1PADI1PADI4
SCHEMBL13113457 0.77 GABRP (0.47) KMT2AMEN1ALDH1A1PADI1PADI4
SCHEMBL4688805 0.75 CHRNB2 (0.55) KMT2AMEN1PADI1PADI4POLB

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-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed