SCHEMBL29049598

SCHEMBL29049598

CC1(C)OB(c2ccc(-c3ccc(C(=O)O)cc3)cc2)OC1(C)C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 9/20 0.66
LPL P06858 8/20 0.66
P4HB P07237 1/20 0.51
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA9 Q16790 4/20 0.47
F2 P00734 1/20 0.47
F11 P03951 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
BCL2L1 Q07817 1/20 0.44
BAD Q92934 1/20 0.44
CA12 O43570 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44

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
SCHEMBL105188 0.95 LIPG (0.56) LIPGLPLP4HBCA1CA2
SCHEMBL5899476 0.86 LIPG (0.61) LIPGLPLP4HBCA1CA2
SCHEMBL23493570 0.85 F11 (0.53) LIPGLPLP4HBCA1CA2
SCHEMBL23493571 0.85 F11 (0.53) LIPGLPLP4HBCA1CA2
SCHEMBL15483243 0.85 P4HB (0.66) LIPGLPLP4HBCA1CA2
SCHEMBL13019605 0.85 LIPG (0.70) LIPGLPLP4HBCA1CA2
SCHEMBL2707320 0.83 LIPG (0.83) LIPGLPLP4HBCA1CA2
SCHEMBL24608995 0.83 LIPG (0.83) LIPGLPLP4HBCA1CA2
SCHEMBL16968584 0.82 LIPG (0.56) LIPGLPLP4HBCA1CA2
SCHEMBL3760918 0.82 LPL (0.53) 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
CN-116554889-A Compound and liquid crystal composition 香港科技大学 2023-08-08 CN disclosed