SCHEMBL20112746

SCHEMBL20112746

C=C(C)COc1ccc(-c2ccc(OC(=O)C(=C)C)cc2F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.40
GPR174 Q9BXC1 1/20 0.40
KMT2A Q03164 11/20 0.39
MEN1 O00255 8/20 0.39
ALDH1A1 P00352 5/20 0.39
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PKM P14618 1/20 0.39
ATM Q13315 1/20 0.38
MAPT P10636 8/20 0.38
NPSR1 Q6W5P4 6/20 0.38
LMNA P02545 4/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 3/20 0.38
MAPK1 P28482 4/20 0.37
KDM4E B2RXH2 2/20 0.37
USP2 O75604 2/20 0.37
TP53 P04637 2/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL22023572 0.91 GPR174 (0.40) ELANEGPR174KMT2AMEN1ALDH1A1
SCHEMBL20112832 0.91 MAPT (0.42) ELANEGPR174KMT2AMEN1ALDH1A1
SCHEMBL18509891 0.90 GPR174 (0.40) ELANEGPR174KMT2AMEN1ALDH1A1
SCHEMBL18522596 0.89 KMT2A (0.38) GPR174KMT2AMEN1ALDH1A1POLB
SCHEMBL9607783 0.89 ELANE (0.49) ELANEKMT2AALDH1A1POLBATM
SCHEMBL20365886 0.88 ELANE (0.36) ELANEGPR174KMT2AMEN1ALDH1A1
SCHEMBL11238246 0.87 KMT2A (0.45) GPR174KMT2AMEN1ALDH1A1POLB
SCHEMBL20112831 0.85 MAPT (0.42) KMT2AMEN1ALDH1A1L3MBTL1MAPT
SCHEMBL19670076 0.84 ELANE (0.45) ELANEGPR174KMT2AMEN1ALDH1A1
SCHEMBL18646588 0.84 FFAR1 (0.40) KMT2AMEN1MAPTMAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3489329-B1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2022-01-12 EP disclosed
EP-3353261-B1 METHOD OF CONTROLLING THE PRETILT ANGLE IN POLYMER STABILISED LIQUID CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2020-05-27 EP disclosed
US-20180119010-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-05-03 US disclosed