SCHEMBL17547129

SCHEMBL17547129

CCCCOc1ccc(-c2cccc(-c3ccc(O)cc3)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.64
NR5A1 Q13285 1/20 0.64
MEN1 O00255 1/20 0.57
ESR1 P03372 1/20 0.57
KMT2A Q03164 1/20 0.57
ABL1 P00519 2/20 0.54
ABCB1 P08183 2/20 0.54
BCR P11274 2/20 0.54
CYP3A4 P08684 3/20 0.54
CYP2D6 P10635 3/20 0.54
CYP19A1 P11511 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
GPR84 Q9NQS5 1/20 0.52
RARB P10826 3/20 0.49
CYP1A2 P05177 1/20 0.49
ESR2 Q92731 1/20 0.49
HSD17B1 P14061 1/20 0.48
HSD17B2 P37059 1/20 0.48

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
SCHEMBL28060212 0.93 NR5A1 (0.74) LTA4HNR5A1MEN1KMT2AGPR84
SCHEMBL428018 0.89 LTA4H (0.78) LTA4HNR5A1CYP3A4CYP2D6CYP19A1
SCHEMBL7110214 0.86 NR5A1 (0.85) LTA4HNR5A1CYP3A4CYP2D6CYP19A1
SCHEMBL2098032 0.86 LTA4H (0.63) LTA4HNR5A1CYP3A4CYP2D6CYP19A1
SCHEMBL20060978 0.84 LTA4H (0.70) LTA4HNR5A1MEN1ESR1KMT2A
SCHEMBL12633727 0.84 NR5A1 (0.89) LTA4HNR5A1CYP3A4CYP2D6CYP19A1
SCHEMBL10536480 0.84 NR5A1 (0.89) LTA4HNR5A1CYP3A4CYP2D6CYP19A1
SCHEMBL7796805 0.84 NR5A1 (0.89) LTA4HNR5A1CYP3A4CYP2D6CYP19A1
SCHEMBL20060977 0.84 LTA4H (0.70) LTA4HNR5A1MEN1ESR1KMT2A
SCHEMBL5688520 0.84 NR5A1 (0.89) LTA4HNR5A1CYP3A4CYP2D6CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2990459-B1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2017-04-26 EP disclosed
US-9594283-B2 Polymerizable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2017-03-14 US disclosed
EP-2990459-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS Merck Patent GmbH (DE) 2016-03-02 EP disclosed