SCHEMBL20112831

SCHEMBL20112831

C=C(C)COc1ccc(-c2ccc(OC(=O)C(=C)C)c(F)c2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.42
KMT2A Q03164 9/20 0.42
MEN1 O00255 7/20 0.42
KDM4E B2RXH2 4/20 0.42
MAPK1 P28482 3/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 2/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPSR1 Q6W5P4 6/20 0.40
LMNA P02545 5/20 0.40
ALDH1A1 P00352 4/20 0.39
HTT P42858 4/20 0.39
HPGD P15428 2/20 0.39
FFAR1 O14842 6/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL18646588 0.92 FFAR1 (0.40) MAPTKMT2AMEN1KDM4EMAPK1
SCHEMBL20112832 0.89 MAPT (0.42) MAPTKMT2AMEN1KDM4EMAPK1
SCHEMBL23052927 0.89 MAPT (0.40) MAPTKMT2AMEN1KDM4EMAPK1
SCHEMBL20312018 0.88 GPR174 (0.41) MAPTKMT2AMEN1KDM4EMAPK1
SCHEMBL19882314 0.88 GPR174 (0.41) MAPTKMT2AMEN1KDM4EMAPK1
SCHEMBL1098577 0.88 ELANE (0.40) KMT2ACYP2C19CTSA
SCHEMBL26144157 0.88 ELANE (0.40) KMT2ACYP2C19CTSA
SCHEMBL22023572 0.87 GPR174 (0.40) MAPTKMT2AMEN1KDM4EMAPK1
SCHEMBL22600499 0.86 MEN1 (0.39) MAPTKMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL18509891 0.86 GPR174 (0.40) MAPTKMT2AMEN1KDM4EMAPK1

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
US-10934487-B2 Liquid crystalline medium MERCK PATENT GMBH (DE) 2021-03-02 US disclosed
US-20180119010-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-05-03 US disclosed