SCHEMBL29536788

SCHEMBL29536788

CC1(C)OB(c2ccc(N(C(=O)C3(C(N)=O)CC3)c3ccc(F)cc3)cc2F)OC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
CXCR2 P25025 1/20 0.33
F2 P00734 1/20 0.31
F11 P03951 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31

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
SCHEMBL25274580 1.00 LPL (0.33) LPLLIPGCXCR2F2F11
SCHEMBL25422054 0.92 LPL (0.33) LPLLIPGCXCR2F2F11
SCHEMBL28239843 0.81 ALDH1A1 (0.38) ESR1ESR2
SCHEMBL2152374 0.78 ESR1 (0.51) ESR1ESR2
SCHEMBL29091787 0.77 ESR1 (0.36) ESR1ESR2
SCHEMBL442782 0.75 ROCK1 (0.38) LPLLIPGF2F11PRSS1
SCHEMBL25422045 0.75 ESR1 (0.36) ESR1ESR2
SCHEMBL29537290 0.75 ESR1 (0.36) ESR1ESR2
SCHEMBL24745880 0.74 RXRA (0.33) LPLLIPGCXCR2
SCHEMBL558091 0.74 AGTR2 (0.41) ESR1ESR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4192582-A1 KINASE INHIBITORS AND USES THEREOF ABM Therapeutics Corporation (US) 2023-06-14 EP disclosed
WO-2022032071-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORPORATION (US) 2022-02-10 WO disclosed