SCHEMBL19805945

SCHEMBL19805945

COc1ccc(Cn2cc(-c3cc(C)nc(SCCC(OCc4ccccc4F)c4ccccc4)n3)cnc2=O)cc1OC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.34
▸ SDHB P21912 2/20 0.33
▸ VCP P55072 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ GPR84 Q9NQS5 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ P2RX7 Q99572 5/20 0.32

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
SCHEMBL22912281 0.88 EGFR (0.36) POLBVCPGAAMAPTALDH1A1
SCHEMBL29976254 0.87 SDHB (0.43) POLBSDHBGAAMAPTPDE4A
SCHEMBL20985675 0.87 SDHB (0.43) POLBSDHBGAAMAPTPDE4A
SCHEMBL19806106 0.81 VCP (0.32) VCP
SCHEMBL19805944 0.80 VCP (0.35) POLBVCPGAAMAPTALDH1A1
SCHEMBL21019518 0.79 MGAM (0.35) VCPGAAMAPTALDH1A1
SCHEMBL22912304 0.79 HSD17B10 (0.35) VCPALDH1A1MAPK1
SCHEMBL22912303 0.79 VCP (0.33) VCP
SCHEMBL21019945 0.78 BRD4 (0.32) VCP
SCHEMBL22912269 0.78 PFKFB3 (0.32) VCP

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-2018014802-A1 APOPTOSIS INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-01-25 — — WO disclosed
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