SCHEMBL9428136

SCHEMBL9428136

CCCCCCCCCCOc1ccc(C(=O)Cl)cc1F

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.65
THRB P10828 4/20 0.65
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
SMPD1 P17405 4/20 0.50
PLA2G2D Q9UNK4 1/20 0.50
PTPN11 Q06124 1/20 0.50
PLA2G2A P14555 1/20 0.48
S1PR2 O95136 1/20 0.48
S1PR1 P21453 1/20 0.48
S1PR3 Q99500 1/20 0.48
LPAR2 Q9HBW0 1/20 0.48
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL9626600 1.00 THRA (0.65) THRATHRBALDH1A1HPGDSMPD1
SCHEMBL9626635 1.00 THRA (0.65) THRATHRBALDH1A1HPGDSMPD1
SCHEMBL7523089 1.00 THRA (0.65) THRATHRBALDH1A1HPGDSMPD1
SCHEMBL10527065 1.00 THRA (0.65) THRATHRBALDH1A1HPGDSMPD1
SCHEMBL10359036 0.89 PTPN11 (0.58) THRATHRBALDH1A1HPGDSMPD1
SCHEMBL9440582 0.89 PTPN11 (0.58) THRATHRBALDH1A1HPGDSMPD1
SCHEMBL9650967 0.89 PTPN11 (0.58) THRATHRBALDH1A1HPGDSMPD1
SCHEMBL9440043 0.88 THRA (0.68) THRATHRBALDH1A1HPGDPLA2G2D
SCHEMBL9437150 0.88 THRA (0.68) THRATHRBALDH1A1HPGDPLA2G2D
SCHEMBL9440284 0.88 THRA (0.68) THRATHRBALDH1A1HPGDPLA2G2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5290478-A Nitrile containing naphthylene compound SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1994-03-01 US disclosed
EP-0542381-A2 Optically active compounds SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1993-05-19 EP disclosed
US-5160662-A Improved response times SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1992-11-03 US disclosed
EP-0188222-B1 NOVEL LIQUID CRISTALLINE COMPOUNDS HAVING SUBSTITUENTS DAINIPPON INK AND CHEMICALS, INC. (JP) 1992-04-29 EP disclosed
EP-0385692-A2 Optcally active compounds SANYO CHEMICAL INDUSTRIES LTD. (JP) 1990-09-05 EP disclosed
US-4943386-A FERROELECTRIC, GOOD RESPONSE AND MEMORY DAINIPPON INK & CHEMICALS, INC. (JP) 1990-07-24 US disclosed
US-4828754-A TILT-TYPE CHIRAL SMECTIC PHASE DAINIPPON INK & CHEMICALS, INC. (JP) 1989-05-09 US disclosed
EP-0256303-A2 Liquid crystal compounds having fluorine-containing core POLAROID CORPORATION (US) 1988-02-24 EP disclosed
EP-0188222-A2 Novel liquid cristalline compounds having substituents DAINIPPON INK AND CHEMICALS, INC. (JP) 1986-07-23 EP disclosed