SCHEMBL20006703

SCHEMBL20006703

Cc1ccc(C#Cc2cc(F)c(-c3ccc(-c4ccc(-c5cc(F)c(F)c(F)c5)c(F)c4)c(F)c3)cc2C)cc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
FFAR1 O14842 1/20 0.32
AKR1B10 O60218 1/20 0.32
AKR1C4 P17516 1/20 0.32
AKR1C1 Q04828 1/20 0.32
RPS6KA3 P51812 1/20 0.32
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
GRM5 P41594 2/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL20006719 1.00 PDE3B (0.33) PDE3BPDE3AAKR1C3AKR1C2FFAR1
SCHEMBL20005213 0.95 FFAR1 (0.33) PDE3BPDE3AAKR1C3AKR1C2FFAR1
SCHEMBL20005240 0.95 FFAR1 (0.33) PDE3BPDE3AAKR1C3AKR1C2FFAR1
SCHEMBL20005231 0.94 FFAR1 (0.34) PDE3BPDE3AFFAR1RPS6KA3
SCHEMBL20004767 0.89 PDE3B (0.31) PDE3BPDE3A
SCHEMBL20005303 0.88
SCHEMBL19258829 0.88 CYP11B1 (0.33) PDE3BPDE3AAKR1C3AKR1C2FFAR1
SCHEMBL19999512 0.88 AKR1C3 (0.30) AKR1C3AKR1C2
SCHEMBL19999642 0.88 AKR1C3 (0.30) AKR1C3AKR1C2
SCHEMBL20005292 0.86 AKR1C3 (0.32) PDE3BPDE3AAKR1C3AKR1C2AKR1B10

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-10208249-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2019-02-19 US disclosed
US-20180086979-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-03-29 US disclosed