SCHEMBL20469262

SCHEMBL20469262

C=C(C)COc1ccc(-c2ccc(OC(=O)C(=C)C)c(F)c2F)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 3/20 0.36
TSHR P16473 3/20 0.36
HSD17B10 Q99714 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
AKR1C3 P42330 1/20 0.34
DGAT1 O75907 1/20 0.34
HTT P42858 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GPR174 Q9BXC1 1/20 0.33
ELANE P08246 1/20 0.33
ATM Q13315 2/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32

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
SCHEMBL9607892 0.88 ELANE (0.40) KDM4EALDH1A1TSHRMAPTDGAT1
SCHEMBL20365886 0.88 ELANE (0.36) KDM4EALDH1A1LMNATSHRHSD17B10
SCHEMBL21884911 0.86 PTGER2 (0.36) KDM4EALDH1A1HSD17B10SMN1; SMN2MAPT
SCHEMBL18522596 0.86 KMT2A (0.38) KDM4EALDH1A1LMNATSHRHSD17B10
SCHEMBL20469142 0.86 FFAR1 (0.35) KDM4EHSD17B10SMN1; SMN2MAPTNPC1
SCHEMBL21165409 0.85 GPR174 (0.40) KDM4EALDH1A1LMNATSHRHSD17B10
SCHEMBL19186360 0.85 PTGER2 (0.35) KDM4EALDH1A1LMNATSHRHSD17B10
SCHEMBL18437003 0.83 FFAR4 (0.35) KDM4EALDH1A1LMNATSHRHSD17B10
SCHEMBL17625770 0.82 TNFSF11 (0.38) KDM4EALDH1A1TSHRRAB9AELANE
SCHEMBL12196857 0.82 ELANE (0.36) KDM4EALDH1A1LMNATSHRMAPT

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-10351771-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2019-07-16 US disclosed
US-20180223187-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2018-08-09 US disclosed