SCHEMBL20469142

SCHEMBL20469142

C=C(C)COc1ccc(-c2ccc(OC(=O)C(=C)C)c(F)c2F)cc1F

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.35
FFAR4 Q5NUL3 5/20 0.35
PPARD Q03181 3/20 0.35
PRKCZ Q05513 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTGER2 P43116 1/20 0.34
CYP3A4 P08684 1/20 0.34
AAK1 Q2M2I8 1/20 0.34

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
SCHEMBL21884911 0.95 PTGER2 (0.36) FFAR1FFAR4PPARDPRKCZKDM4E
SCHEMBL9607891 0.89 AR (0.36) FFAR4PRKCZMAPTMAPK1RAB9A
SCHEMBL18437003 0.88 FFAR4 (0.35) FFAR1FFAR4KDM4EMEN1NPC1
SCHEMBL23045941 0.87 FFAR1 (0.39) FFAR1PPARDKDM4EMAPTCYP3A4
SCHEMBL19186360 0.87 PTGER2 (0.35) FFAR1FFAR4KDM4EMAPTSMN1; SMN2
SCHEMBL26144195 0.86 AKR1C3 (0.36) PRKCZKDM4EMEN1KMT2AHSD17B10
SCHEMBL20469262 0.86 KDM4E (0.36) KDM4ENPC1MAPTRAB9AKMT2A
SCHEMBL18646588 0.86 FFAR1 (0.40) FFAR1FFAR4PPARDKDM4EMEN1
SCHEMBL21165409 0.85 GPR174 (0.40) KDM4EMEN1NPC1TP53MAPT
SCHEMBL18522285 0.85 AR (0.44) FFAR1PRKCZMAPK1RAB9A

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-20180223187-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2018-08-09 US disclosed