SCHEMBL23610591

SCHEMBL23610591

CC1(C)c2cc(C=O)ccc2-c2ccc(N(c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)c3ccc(-c4ccccc4)cc3)cc21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 10/20 0.49
LPL P06858 9/20 0.49
P4HB P07237 1/20 0.39
IP6K1 Q92551 1/20 0.34
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
PDGFRB P09619 1/20 0.32
KDR P35968 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
DGAT1 O75907 1/20 0.30

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
SCHEMBL19052324 0.88 LIPG (0.34) LIPGLPLIP6K1
SCHEMBL19554369 0.87 LIPG (0.56) LIPGLPLP4HBCA1CA2
SCHEMBL15213736 0.87 LIPG (0.56) LIPGLPLP4HBCA1CA2
SCHEMBL23485894 0.87 LIPG (0.56) LIPGLPLP4HBCA1CA2
SCHEMBL23593183 0.87 LIPG (0.56) LIPGLPLP4HBCA1CA2
SCHEMBL30288155 0.87 LIPG (0.56) LIPGLPLP4HBCA1CA2
SCHEMBL29626013 0.87 LIPG (0.56) LIPGLPLP4HBCA1CA2
SCHEMBL15907004 0.87 LIPG (0.55) LIPGLPLP4HBCA1CA2
SCHEMBL19052322 0.87 IP6K1 (0.38) IP6K1CA1CA2CA9KDM4E
SCHEMBL24531298 0.86 LIPG (0.54) LIPGLPLP4HBCA1CA2

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
US-20210210691-A1 POLYMERIC LAYER AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME. DOW GLOBAL TECHNOLOGIES LLC (US) 2021-07-08 US disclosed