SCHEMBL31050409

SCHEMBL31050409

CC1(C)c2ccccc2-c2c(-c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)cccc21

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 13/20 0.55
LPL P06858 12/20 0.55
F11 P03951 1/20 0.38
P4HB P07237 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
DGAT1 O75907 1/20 0.35
PDGFRB P09619 1/20 0.34
KDR P35968 1/20 0.34

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
SCHEMBL31050389 0.91 LIPG (0.56) LIPGLPLF11P4HBCA1
SCHEMBL17143516 0.87 LIPG (0.54) LIPGLPLF11P4HBCA1
SCHEMBL30973828 0.87 LIPG (0.50) LIPGLPLF11P4HBCA1
SCHEMBL26602848 0.87 LIPG (0.50) LIPGLPLP4HBDGAT1PDGFRB
SCHEMBL25540943 0.87 LIPG (0.50) LIPGLPLF11P4HBCA1
SCHEMBL26639957 0.86 LIPG (0.45) LIPGLPLF11P4HBPDGFRB
SCHEMBL17143213 0.84 LIPG (0.57) LIPGLPLF11P4HBCA1
SCHEMBL17143204 0.84 LIPG (0.54) LIPGLPLF11P4HBCA1
SCHEMBL29817688 0.84 LIPG (0.54) LIPGLPLF11P4HBCA1
SCHEMBL24388511 0.83 LIPG (0.41) LIPGLPL

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-2024144192-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DIODE USING SAME 솔루스첨단소재 주식회사 2024-07-04 WO disclosed