SCHEMBL20005192

SCHEMBL20005192

CCOc1ccc2cc(C#Cc3cc(F)c(-c4ccc(C)cc4)cc3C)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.40
FFAR1 O14842 3/20 0.40
HMOX1 P09601 3/20 0.35
CYP11B1 P15538 3/20 0.34
CYP11B2 P19099 3/20 0.34
CYP19A1 P11511 1/20 0.34
MAPT P10636 4/20 0.34
RAB9A P51151 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 2/20 0.34
NPC1 O15118 3/20 0.33
PKM P14618 1/20 0.33
KDM1A O60341 1/20 0.33
TP53 P04637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
PPARD Q03181 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL19999503 0.99 FFAR4 (0.39) FFAR4FFAR1HMOX1CYP11B1CYP11B2
SCHEMBL19999417 0.88 FFAR1 (0.39) FFAR4FFAR1HMOX1MAPTRAB9A
SCHEMBL19999520 0.87 HMOX1 (0.38) FFAR4FFAR1HMOX1CYP11B1CYP11B2
SCHEMBL19999626 0.86 FFAR1 (0.37) FFAR4FFAR1HMOX1MAPTRAB9A
SCHEMBL20005232 0.84 FFAR4 (0.38) FFAR4FFAR1HMOX1MAPTRAB9A
SCHEMBL20005210 0.83 ACACB (0.42) FFAR4FFAR1MAPT
SCHEMBL20005267 0.81 RARA (0.39) FFAR4FFAR1CYP19A1MAPTRAB9A
SCHEMBL20004894 0.81 RARA (0.39) FFAR4FFAR1CYP19A1MAPTRAB9A
SCHEMBL9743177 0.80 CYP11B1 (0.43) FFAR1CYP11B1CYP11B2CYP19A1MAPT
SCHEMBL9742093 0.79 NQO1 (0.47) FFAR1CYP11B1CYP11B2CYP19A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3299439-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2018-03-28 EP disclosed