SCHEMBL9542527

SCHEMBL9542527

O=C1CCC(CCCc2ccccc2)C(c2ccccc2)N1O.O=C1C[C@@H](CCCc2ccccc2)C[C@H](c2ccccc2)N1O.O=C1C[C@H](CCCc2ccccc2)C[C@H](c2ccccc2)N1O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.39
CCR5 P51681 9/20 0.35
SLC18A3 Q16572 1/20 0.34
MFN2 O95140 1/20 0.34
CACNA1F O60840 2/20 0.33
CACNA1D Q01668 2/20 0.33
CACNA1S Q13698 2/20 0.33
CACNA1C Q13936 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 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
SCHEMBL9542534 1.00 EPHX2 (0.39) EPHX2CCR5SLC18A3MFN2CACNA1F
SCHEMBL9328821 0.87 EPHX2 (0.44) EPHX2CCR5SLC18A3
SCHEMBL9329455 0.87 MEN1 (0.40) EPHX2MFN2MEN1POLBKMT2A
SCHEMBL9328813 0.87 EPHX2 (0.44) EPHX2CCR5SLC18A3
SCHEMBL9328830 0.87 EPHX2 (0.44) EPHX2CCR5SLC18A3
SCHEMBL9328937 0.87 EPHX2 (0.44) EPHX2CCR5SLC18A3
SCHEMBL9328944 0.87 EPHX2 (0.44) EPHX2CCR5SLC18A3
SCHEMBL9331285 0.73 MFN2 (0.41) SLC18A3MFN2
SCHEMBL9877016 0.69 SLC18A3 (0.41) SLC18A3
SCHEMBL9328954 0.69 HSD17B2 (0.40) EPHX2CCR5MEN1KMT2A

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-1993008803-A1 CYCLIC HYDROXAMIC ACIDS BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1993-05-13 WO claimed