SCHEMBL19258829

SCHEMBL19258829

Cc1ccc(C#Cc2ccc(-c3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)cc2C)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
RPS6KA3 P51812 1/20 0.32
AR P10275 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
FFAR1 O14842 3/20 0.32
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
ALK Q9UM73 1/20 0.31
GRM5 P41594 2/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30
RARA P10276 1/20 0.30
RARB P10826 1/20 0.30
RARG P13631 1/20 0.30
PTGS2 P35354 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
SCHEMBL20228304 0.89 FFAR1 (0.36) CYP11B1CYP11B2FFAR1GRM5AKR1C3
SCHEMBL20006703 0.88 PDE3B (0.33) CYP11B1CYP11B2PDE3BPDE3ARPS6KA3
SCHEMBL20006719 0.88 PDE3B (0.33) CYP11B1CYP11B2PDE3BPDE3ARPS6KA3
SCHEMBL18622099 0.85 PDE3B (0.33) CYP11B1CYP11B2PDE3BPDE3AFFAR1
SCHEMBL20005231 0.84 FFAR1 (0.34) PDE3BPDE3ARPS6KA3FFAR1
SCHEMBL20005240 0.83 FFAR1 (0.33) PDE3BPDE3ARPS6KA3FFAR1AKR1C3
SCHEMBL20005213 0.83 FFAR1 (0.33) PDE3BPDE3ARPS6KA3FFAR1AKR1C3
SCHEMBL19999533 0.80 FFAR1 (0.33) CYP11B1CYP11B2PDE3BPDE3AAR
SCHEMBL19412664 0.79
SCHEMBL20005223 0.79 GRM5 (0.34) PDE3BPDE3ARPS6KA3GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3312257-B1 LIQUID-CRYSTALLINE MEDIUM AND HIGH-FREQUENCY COMPONENTS COMPRISING SAME MERCK PATENT GMBH (DE) 2019-11-20 EP disclosed
EP-3414300-B1 LIQUID-CRYSTALLINE MEDIUM AND HIGH-FREQUENCY COMPONENTS COMPRISING SAME MERCK PATENT GMBH (DE) 2019-10-30 EP disclosed
EP-2982730-B1 LIQUID-CRYSTALLINE MEDIUM AND HIGH-FREQUENCY COMPONENTS COMPRISING SAME MERCK PATENT GMBH (DE) 2019-10-16 EP disclosed
EP-3312257-A1 LIQUID-CRYSTALLINE MEDIUM AND HIGH-FREQUENCY COMPONENTS COMPRISING SAME Merck Patent GmbH (DE) 2018-04-25 EP disclosed
WO-2017137145-A1 LIQUID-CRYSTALLINE MEDIUM AND HIGH-FREQUENCY COMPONENTS COMPRISING SAME MERCK PATENT GMBH (DE) 2017-08-17 WO disclosed