SCHEMBL28314588

SCHEMBL28314588

O=PC(=O)c1ccc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HNF4A P41235 1/20 0.41
▸ BCAT2 O15382 1/20 0.39
▸ FABP3 P05413 1/20 0.38
▸ FABP4 P15090 1/20 0.38
▸ FABP5 Q01469 1/20 0.38
▸ HTT P42858 2/20 0.37
▸ HDAC4 P56524 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ FOLH1 Q04609 1/20 0.36
▸ PTPN1 P18031 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA4 P43681 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
SCHEMBL10429432 0.86 HNF4A (0.53) HNF4ABCAT2FABP3FABP4FABP5
SCHEMBL12006684 0.81 HNF4A (0.55) HNF4ABCAT2FABP3FABP4FABP5
SCHEMBL10538142 0.78 HNF4A (0.47) HNF4ABCAT2FABP3FABP4FABP5
SCHEMBL27556088 0.78 MAPT (0.44) HNF4ABCAT2HDAC4HDAC2HDAC8
SCHEMBL28526934 0.78 HNF4A (0.43) HNF4ABCAT2FABP3FABP4FABP5
SCHEMBL28159776 0.78 BCAT2 (0.60) HNF4ABCAT2MEN1KMT2AALDH1A1
SCHEMBL29186606 0.76 HNF4A (0.42) HNF4ABCAT2FABP3FABP4FABP5
SCHEMBL27514569 0.76 ALDH1A1 (0.56) HNF4AMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1707625 0.74 NPC1 (0.49) HNF4AHDAC4HDAC2HDAC8HDAC6
SCHEMBL29154516 0.74 HNF4A (0.40) HNF4ABCAT2FABP3FABP4FABP5

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
CN-110235282-A Porous carbon-coated sulfur particles, their preparation and use 沙伯环球技术有限公司 2019-09-13 — — CN disclosed
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