SCHEMBL8029040

SCHEMBL8029040

CC[C@H]1CC[C@H](C2CCC(c3ccc(Cl)cc3)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.51
LSS P48449 1/20 0.42
IDO1 P14902 1/20 0.41
SLC2A1 P11166 1/20 0.41
CYP2C9 P11712 2/20 0.41
ESR2 Q92731 2/20 0.41
HTR3A P46098 1/20 0.41
ESR1 P03372 1/20 0.41
CYP3A4 P08684 1/20 0.41
SRD5A1 P18405 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SLC6A3 Q01959 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL8029049 1.00 DRD2 (0.51) DRD2LSSIDO1SLC2A1CYP2C9
SCHEMBL7508508 1.00 DRD2 (0.51) DRD2LSSIDO1SLC2A1CYP2C9
SCHEMBL10982191 0.94 DRD2 (0.56) DRD2LSSIDO1SLC2A1CYP2C9
SCHEMBL10177543 0.94 DRD2 (0.56) DRD2LSSIDO1SLC2A1CYP2C9
SCHEMBL19181804 0.94 DRD2 (0.46) DRD2LSSIDO1SLC2A1CYP2C9
SCHEMBL8015280 0.89 DRD2 (0.51) DRD2LSSIDO1SLC2A1CYP2C9
SCHEMBL8015276 0.89 DRD2 (0.51) DRD2LSSIDO1SLC2A1CYP2C9
SCHEMBL8398929 0.86 CYP2C9 (0.55) DRD2LSSIDO1SLC2A1CYP2C9
SCHEMBL8398937 0.86 CYP2C9 (0.55) DRD2LSSIDO1SLC2A1CYP2C9
SCHEMBL7510559 0.86 CYP2C9 (0.55) DRD2LSSIDO1SLC2A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0704512-B1 A liquid crystal composition and a liquid crystal display element using the same CHISSO CORP (JP) 2000-03-08 EP disclosed
EP-0679707-B1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 1999-06-16 EP disclosed
EP-0672742-B1 A hexenediyne derivative and a liquid crystal composition CHISSO CORP (JP) 1999-02-10 EP disclosed
EP-0733610-B1 Liquid crystalline compound, liquid crystal composition containing the same and liquid crystal display device CHISSO CORP (JP) 1998-10-28 EP disclosed
US-5720899-A Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1998-02-24 US disclosed
US-5653911-A Liquid crystalline compound liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1997-08-05 US disclosed
EP-0733610-A1 Liquid crystalline compound, liquid crystal composition containing the same and liquid crystal display device Chisso Corporation (JP) 1996-09-25 EP disclosed
EP-0704512-A1 A liquid crystal composition and a liquid crystal display element using the same Chisso Corporation (JP) 1996-04-03 EP disclosed
EP-0679707-A1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1995-11-02 EP disclosed
EP-0672742-A1 A hexenediyne derivative and a liquid crystal composition CHISSO CORPORATION (JP) 1995-09-20 EP disclosed