SCHEMBL20112832

SCHEMBL20112832

C=C(C)COc1ccc(-c2ccc(OC(=O)C(=C)C)cc2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.42
MAPK1 P28482 4/20 0.42
KDM4E B2RXH2 4/20 0.42
KMT2A Q03164 12/20 0.42
MEN1 O00255 10/20 0.42
NPSR1 Q6W5P4 6/20 0.42
LMNA P02545 5/20 0.42
ALDH1A1 P00352 4/20 0.41
HTT P42858 4/20 0.41
TP53 P04637 3/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.41
MAPK10 P53779 1/20 0.41
ELANE P08246 1/20 0.41
ALOX12 P18054 1/20 0.41
POLB P06746 2/20 0.40
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39

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 0.95 GPR174 (0.40) MAPTMAPK1KDM4EKMT2AMEN1
SCHEMBL18509891 0.94 GPR174 (0.40) MAPTMAPK1KDM4EKMT2AMEN1
SCHEMBL21655391 0.93 KMT2A (0.40) MAPTMAPK1KDM4EKMT2AMEN1
SCHEMBL20112746 0.91 ELANE (0.40) MAPTMAPK1KDM4EKMT2AMEN1
SCHEMBL20112831 0.89 MAPT (0.42) MAPTMAPK1KDM4EKMT2AMEN1
SCHEMBL19674629 0.89 FFAR4 (0.44) KMT2AHTTELANEPOLBCYP2C19
SCHEMBL25934094 0.88 KMT2A (0.39) MAPTMAPK1KDM4EKMT2AMEN1
SCHEMBL9607902 0.88 ELANE (0.48) MAPTKMT2AMEN1LMNAHPGD
SCHEMBL18509898 0.87 ELANE (0.43) MAPTMAPK1KDM4EKMT2AMEN1
SCHEMBL9607894 0.87 ELANE (0.47) MAPTKMT2AMEN1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180119010-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-05-03 US disclosed