SCHEMBL20763403

SCHEMBL20763403

CCCCC1(CCCC)c2ccccc2-c2ccc(C(=O)/C(C)=N/OC=O)cc21

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 15/20 0.38
▸ APEX1 P27695 1/20 0.36
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL22782107 0.94 APEX1 (0.37) PDK2APEX1
SCHEMBL22782136 0.89 PDK2 (0.38) PDK2APEX1
SCHEMBL26818789 0.88 PDK2 (0.39) PDK2APEX1CYP2C19
SCHEMBL18235853 0.88 PDK2 (0.39) PDK2APEX1CYP2C19
SCHEMBL20032403 0.87 PDK2 (0.38) PDK2APEX1CYP2C19
SCHEMBL25119573 0.87 PDK2 (0.35) PDK2APEX1CYP2C19
SCHEMBL18235857 0.86 PDK2 (0.37) PDK2APEX1CYP2C19
SCHEMBL18235864 0.85 PDK2 (0.41) PDK2APEX1CYP2C19
SCHEMBL18235865 0.85 APEX1 (0.37) PDK2APEX1CYP2C19
SCHEMBL18235859 0.85 APEX1 (0.37) PDK2APEX1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3668948-B1 POLYMERISABLE LIQUID CRYSTAL MATERIAL AND POLYMERISED LIQUID CRYSTAL FILM MERCK PATENT GMBH (DE) 2023-10-25 — — EP disclosed
EP-3784754-B1 POLYMERISABLE LIQUID CRYSTAL MATERIAL AND POLYMERISED LIQUID CRYSTAL FILM MERCK PATENT GMBH (DE) 2022-06-08 — — EP disclosed
EP-3519533-B1 POLYMERISABLE LIQUID CRYSTAL MATERIAL AND POLYMERISED LIQUID CRYSTAL FILM MERCK PATENT GMBH (DE) 2020-12-16 — — EP disclosed
WO-2019034590-A1 POLYMERISABLE LIQUID CRYSTAL MATERIAL AND POLYMERISED LIQUID CRYSTAL FILM MERCK PATENT GMBH (DE) 2019-02-21 — — WO disclosed
Send feedback