SCHEMBL21165409

SCHEMBL21165409

C=C(C)COc1ccc(-c2ccc(OC(=O)C(=C)C)c(F)c2F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR174 Q9BXC1 1/20 0.40
MAPT P10636 8/20 0.38
KDM4E B2RXH2 4/20 0.38
MAPK1 P28482 3/20 0.38
KMT2A Q03164 9/20 0.38
MEN1 O00255 7/20 0.38
NPC1 O15118 2/20 0.38
TP53 P04637 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPSR1 Q6W5P4 5/20 0.37
LMNA P02545 4/20 0.37
ALDH1A1 P00352 3/20 0.36
HTT P42858 3/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK10 P53779 1/20 0.36
ALOX12 P18054 1/20 0.36
POLB P06746 1/20 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
SCHEMBL18509898 0.92 ELANE (0.43) GPR174MAPTKDM4EMAPK1KMT2A
SCHEMBL9607785 0.87 ELANE (0.47) MAPTKDM4EKMT2ASMN1; SMN2HSD17B10
SCHEMBL20469262 0.85 KDM4E (0.36) GPR174MAPTKDM4EKMT2ANPC1
SCHEMBL22600500 0.85 GAA (0.39) MAPTKMT2AMEN1NPC1TP53
SCHEMBL18522596 0.85 KMT2A (0.38) GPR174MAPTKDM4EMAPK1KMT2A
SCHEMBL20469142 0.85 FFAR1 (0.35) MAPTKDM4EMAPK1KMT2AMEN1
SCHEMBL18869481 0.84 BACE1 (0.49) MAPTKDM4EKMT2AMEN1TP53
SCHEMBL19674709 0.84 ELANE (0.40) MAPTKMT2AMEN1LMNAHTT
SCHEMBL21884911 0.83 PTGER2 (0.36) MAPTKDM4EMAPK1KMT2AMEN1
SCHEMBL18437003 0.83 FFAR4 (0.35) MAPTKDM4EMAPK1KMT2AMEN1

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-10351771-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2019-07-16 US disclosed