SCHEMBL9512656

SCHEMBL9512656

CCCCCOC1(c2ccccc2CCCCC)C=CC(C(=O)O)C=C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 4/20 0.41
CYSLTR1 Q9Y271 4/20 0.41
PPARA Q07869 3/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PPARG P37231 4/20 0.37
BID P55957 3/20 0.37
MCL1 Q07820 3/20 0.37
BCL2L1 Q07817 2/20 0.37
BAK1 Q16611 2/20 0.37
KAT8 Q9H7Z6 2/20 0.37
EP300 Q09472 1/20 0.37
KAT2A Q92830 1/20 0.37
KAT2B Q92831 1/20 0.37

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
SCHEMBL8044979 0.99 CYSLTR2 (0.43) CYSLTR2CYSLTR1PPARACYP2C9CYP2C19
SCHEMBL10784967 0.89 CYSLTR2 (0.43) CYSLTR2CYSLTR1PPARAPPARGBID
SCHEMBL20594592 0.85 CYP2C9 (0.36) CYSLTR2CYSLTR1CYP2C9CYP2C19MEN1
SCHEMBL20594602 0.85 CYP2C9 (0.36) CYSLTR2CYSLTR1CYP2C9CYP2C19MEN1
SCHEMBL20594611 0.85 CYP2C9 (0.36) CYSLTR2CYSLTR1CYP2C9CYP2C19MEN1
SCHEMBL9515594 0.84 CYSLTR2 (0.40) CYSLTR2CYSLTR1PPARAPPARGBID
SCHEMBL10883504 0.84 CYP4F2 (0.40) CYSLTR2CYSLTR1PPARAPPARGBID
SCHEMBL9640129 0.84 MEN1 (0.45) CYSLTR2CYSLTR1CYP2C9CYP2C19MEN1
SCHEMBL9486045 0.84 MEN1 (0.45) CYSLTR2CYSLTR1CYP2C9CYP2C19MEN1
SCHEMBL9650375 0.84 MEN1 (0.45) CYSLTR2CYSLTR1CYP2C9CYP2C19MEN1

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
US-4140016-A CHOLESTERIC LIQUID CRYSTAL THERMOMETERS, BENZOIC ESTER DERIVATIVES BECTON, DICKINSON AND COMPANY (US) 1979-02-20 US claimed
EP-0187768-B1 LIQUID CRYSTAL TEMPERATURE SENSOR AND MATERIALS FERGASON JAMES L (US) 1993-11-03 EP disclosed
US-5130828-A Liquid crystal temperature sensor and materials MANCHESTER R&D PARTNERSHIP (US) 1992-07-14 US disclosed
US-4884877-A Liquid crystal temperature sensor and materials utilizing microencapsulated liquid crystal MANCHESTER R & D PARTNERSHIP (US) 1989-12-05 US disclosed
EP-0187768-A4 LIQUID CRYSTAL TEMPERATURE SENSOR AND MATERIALS. FERGASON JAMES L 1989-03-09 EP disclosed
EP-0187768-A1 LIQUID CRYSTAL TEMPERATURE SENSOR AND MATERIALS. FERGASON JAMES L 1986-07-23 EP disclosed
WO-1985005467-A1 LIQUID CRYSTAL TEMPERATURE SENSOR AND MATERIALS FERGASON JAMES L 1985-12-05 WO disclosed
US-4385844-A THERMOSENSITIVE NON-CHLOLESTERIC COMPOUND AND ALKYLBENZOATE LIQUID CRYSTALS BECTON, DICKINSON AND COMPANY (US) 1983-05-31 US disclosed
US-4296631-A AND METHOD OF MODIFYING THE HYSTERETIC BEHAVIOR BECTON, DICKINSON AND COMPANY (US) 1981-10-27 US disclosed
US-4140016-A CHOLESTERIC LIQUID CRYSTAL THERMOMETERS, BENZOIC ESTER DERIVATIVES BECTON, DICKINSON AND COMPANY (US) 1979-02-20 US disclosed