SCHEMBL14764282

SCHEMBL14764282

O=CN(OCC1c2ccccc2-c2ccccc21)c1ccc(C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 3/20 0.39
FABP7 O15540 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
KMT2A Q03164 3/20 0.37
PKM P14618 2/20 0.37
ALDH1A1 P00352 1/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
KDM4E B2RXH2 1/20 0.36
EPHX2 P34913 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CASP3 P42574 3/20 0.34
MEN1 O00255 1/20 0.33
APAF1 O14727 1/20 0.33
TDP2 O95551 1/20 0.33
NSD2 O96028 1/20 0.33

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
SCHEMBL18170903 0.74 FABP5 (0.44) FABP5FABP7CA1CA2KMT2A
SCHEMBL5330089 0.72 FABP5 (0.43) FABP5FABP7CA1CA2KMT2A
SCHEMBL27028193 0.72 PTGES (0.44) FABP5FABP7KMT2AMEN1
SCHEMBL27687616 0.71 CA1 (0.45) FABP5FABP7CA1CA2KMT2A
SCHEMBL289035 0.70 FABP5 (0.40) FABP5FABP7CA1CA2KMT2A
SCHEMBL4678772 0.70 KMT2A (0.36) FABP5FABP7CA1CA2KMT2A
SCHEMBL14590853 0.69 FABP5 (0.47) FABP5FABP7CA1CA2KMT2A
SCHEMBL8587365 0.69 CA1 (0.54) FABP5FABP7CA1CA2KMT2A
SCHEMBL27577191 0.69 CA1 (0.40) FABP5FABP7CA1CA2KMT2A
SCHEMBL8451311 0.69 CA1 (0.42) FABP5FABP7CA1CA2KMT2A

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-2013036749-A1 HCV HELICASE INHIBITORS AND METHODS OF USE THEREOF UNIVERSITY OF KANSAS (US) 2013-03-14 WO disclosed