SCHEMBL4820116

SCHEMBL4820116

CCCCCC1CCC(c2ccc(-c3ccccc3C#N)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.41
GRM2 Q14416 1/20 0.40
OXTR P30559 1/20 0.39
AVPR1A P37288 1/20 0.39
ACHE P22303 1/20 0.38
CYP2C9 P11712 1/20 0.38
PPARG P37231 2/20 0.37
PTPN5 P54829 1/20 0.37
CNR2 P34972 1/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
SPHK1 Q9NYA1 2/20 0.36
GRIA2 P42262 1/20 0.35
GRIA4 P48058 1/20 0.35
GPR119 Q8TDV5 1/20 0.35

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
SCHEMBL8754394 1.00 ESR2 (0.41) ESR2GRM2OXTRAVPR1AACHE
SCHEMBL4578608 0.99 GRM2 (0.42) ESR2GRM2OXTRAVPR1AACHE
SCHEMBL4578614 0.99 GRM2 (0.42) ESR2GRM2OXTRAVPR1AACHE
SCHEMBL4820112 0.86 CTSS (0.38) GRM2ACHECYP2C9MAPTALDH1A1
SCHEMBL8754404 0.86 CTSS (0.38) GRM2ACHECYP2C9MAPTALDH1A1
SCHEMBL4578617 0.85 GRM2 (0.38) GRM2CYP2C9CNR2MAPTALDH1A1
SCHEMBL9762477 0.83 ESR2 (0.40) ESR2OXTRAVPR1AACHECYP2C9
SCHEMBL9406064 0.82 CYP2C9 (0.36) ESR2GRM2CYP2C9MAPTALDH1A1
SCHEMBL9406068 0.82 CYP2C9 (0.36) ESR2GRM2CYP2C9MAPTALDH1A1
SCHEMBL11047893 0.81 CYP2C9 (0.39) ESR2GRM2CYP2C9MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335405-B2 Nematic liquid crystal mixtures for use in bistable display devices NEMOPTIC (FR) 2008-02-26 US disclosed
US-20060249708-A1 Nematic liquid crystal mixtures for use in bistable display devices CDC PROPRIETE INTELLECTUELLE (FR) 2006-11-09 US disclosed
EP-0597701-B1 Conjugated enyne derivative and liquid crystal composition CHISSO CORP (JP) 1997-04-16 EP disclosed
EP-0597701-A1 Conjugated enyne derivative and liquid crystal composition CHISSO CORPORATION (JP) 1994-05-18 EP disclosed