SCHEMBL15043516

SCHEMBL15043516

CC1CCC(c2ccc(C#CCl)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.53
EGLN1 Q9GZT9 1/20 0.33
EGLN3 Q9H6Z9 1/20 0.33
GRM5 P41594 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
FFAR1 O14842 2/20 0.32
POLB P06746 1/20 0.31
DRD2 P14416 1/20 0.31
ESR1 P03372 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
GRIA1 P42261 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA3 P42263 1/20 0.31
KCNH2 Q12809 1/20 0.30

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
SCHEMBL15014364 0.81 ESR2 (0.53) ESR2EGLN1EGLN3GRM5HRH3
SCHEMBL10091187 0.81 ESR2 (0.53) ESR2GRM5FFAR1
SCHEMBL11196166 0.79 ESR2 (0.77) ESR2POLBDRD2ESR1CYP3A4
SCHEMBL13226083 0.79 ESR2 (0.50) ESR2EGLN1EGLN3GRM5HRH3
SCHEMBL9548930 0.78 CYP2C9 (0.52) ESR2DRD2ESR1CYP3A4CYP2C9
SCHEMBL9548931 0.78 CYP2C9 (0.52) ESR2DRD2ESR1CYP3A4CYP2C9
SCHEMBL15043572 0.77 ESR2 (0.49) ESR2EGLN1EGLN3GRM5HRH3
SCHEMBL13433641 0.77 APP (0.49) ESR2DRD2KCNH2
SCHEMBL9508933 0.77 APP (0.49) ESR2DRD2KCNH2
SCHEMBL20083485 0.77 ESR2 (0.57) ESR2HRH3GRIA1GRIA2GRIA3

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
US-9617473-B2 Switch element comprising a liquid-crystalline medium MERCK PATENT GMBH (DE) 2017-04-11 US disclosed
US-9617473-B2 Switch element comprising a liquid-crystalline medium MERCK PATENT GMBH (DE) 2017-04-11 US disclosed
US-20130155338-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-20 US disclosed