SCHEMBL22101129

SCHEMBL22101129

C=C(C)C(=O)Oc1ccc(-c2ccc(OC)cc2OCC)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.43
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
DHODH Q02127 1/20 0.39
KDM4E B2RXH2 2/20 0.39
CPS1 P31327 2/20 0.38
ERN1 O75460 1/20 0.37
GRM2 Q14416 1/20 0.37
CTSA P10619 1/20 0.37
PRKAB2 O43741 2/20 0.36
PRKAG1 P54619 2/20 0.36
PRKAA2 P54646 2/20 0.36
PRKAA1 Q13131 2/20 0.36
PRKAG3 Q9UGI9 2/20 0.36
PRKAG2 Q9UGJ0 2/20 0.36
PRKAB1 Q9Y478 2/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
ATM Q13315 2/20 0.36

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
SCHEMBL21400899 0.95 KDM4E (0.42) PRKCZKDM4EATMKMT2APTGS1
SCHEMBL27421754 0.90 KDM4E (0.38) PRKCZKDM4EATMKMT2APTGS1
SCHEMBL22101130 0.89 ERN1 (0.43) PRKCZADORA3DHODHCPS1ERN1
SCHEMBL25908254 0.88 KDM4E (0.36) PRKCZKDM4EERN1ATMKMT2A
SCHEMBL22592232 0.88 ELANE (0.41) PRKCZKDM4EATMKMT2APTGS1
SCHEMBL25935937 0.88 ELANE (0.41) PRKCZKDM4EATMKMT2APTGS1
SCHEMBL12196853 0.88 GRM2 (0.44) PRKCZCPS1ERN1GRM2PRKAB2
SCHEMBL21400896 0.86 ELANE (0.41) PRKCZADORA3DHODHERN1GRM2
SCHEMBL11053851 0.84 BACE1 (0.48) MTNR1AMTNR1BADORA3KDM4EATM
SCHEMBL25944850 0.84 ERN1 (0.39) PRKCZADORA3DHODHERN1GRM2

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-3944011-A1 LIQUID-CRYSTAL DISPLAY Merck Patent GmbH (DE) 2022-01-26 EP disclosed
EP-3848436-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2021-07-14 EP disclosed
EP-3730591-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2020-10-28 EP disclosed
EP-3666853-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2020-06-17 EP disclosed