SCHEMBL8035928

SCHEMBL8035928

CCCCC1CCC(C(=O)O)(c2ccc(CCC)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
TSHR P16473 1/20 0.42
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
CYP1A2 P05177 1/20 0.37
CNR2 P34972 1/20 0.36
AKR1C1 Q04828 1/20 0.36
ALOX15 P16050 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL8677395 0.95 MEN1 (0.48) KMT2AMEN1TSHRALDH1A1HPGD
SCHEMBL4820162 0.92 RARB (0.44) KMT2AMEN1TSHRALDH1A1HRH3
SCHEMBL4827223 0.91 MEN1 (0.47) KMT2AMEN1TSHRALDH1A1HPGD
SCHEMBL7513598 0.91 KMT2A (0.49) KMT2AMEN1TSHRALDH1A1CYP1A2
SCHEMBL2829785 0.88 MEN1 (0.47) KMT2AMEN1TSHRALDH1A1HPGD
SCHEMBL9487772 0.88 KMT2A (0.43) KMT2AMEN1TSHRALDH1A1HPGD
SCHEMBL9842223 0.86 MEN1 (0.41) KMT2AMEN1TSHRALDH1A1ITGB3
SCHEMBL9485865 0.86 KMT2A (0.43) KMT2AMEN1TSHRALDH1A1HPGD
SCHEMBL8046578 0.85 MEN1 (0.49) KMT2AMEN1TSHROPRM1OPRL1
SCHEMBL9487875 0.85 MEN1 (0.42) KMT2AMEN1TSHRALDH1A1ITGB3

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
EP-0700982-B1 A liquid crystal composition and a liquid crystal display element using the same CHISSO CORP (JP) 2000-04-26 EP disclosed
US-5833879-A LOW TEMPERATURE MISCIBILITY AND COMPATIBILITY WITH OTHER LIQUID CRYSTAL COMPOUNDS; DISPLAYS CONTAINING MIXTURES OF AT LEAST TWO COMPOUNDS, PHYSICAL PROPERTIES CHISSO CORPORATION (JP) 1998-11-10 US disclosed
US-5720899-A Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1998-02-24 US disclosed
EP-0700982-A1 A liquid crystal composition and a liquid crystal display element using the same Chisso Corporation (JP) 1996-03-13 EP disclosed