SCHEMBL9647635

SCHEMBL9647635

CCCCCCCCCCCCOc1ccc(O)cc1Cl

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.54
THRB P10828 2/20 0.54
NR5A1 Q13285 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.50
GLA P06280 1/20 0.50
S1PR2 O95136 1/20 0.50
S1PR1 P21453 1/20 0.50
S1PR3 Q99500 1/20 0.50
LPAR2 Q9HBW0 1/20 0.50
ATM Q13315 1/20 0.50
CYSLTR2 Q9NS75 1/20 0.49
CYSLTR1 Q9Y271 1/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
BACE1 P56817 1/20 0.48

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
SCHEMBL9734720 1.00 THRA (0.54) THRATHRBNR5A1SMN1; SMN2GLA
SCHEMBL9698942 1.00 THRA (0.54) THRATHRBNR5A1SMN1; SMN2GLA
SCHEMBL9698883 1.00 THRA (0.54) THRATHRBNR5A1SMN1; SMN2GLA
SCHEMBL3724251 0.88 CSNK2A1 (0.60) SMN1; SMN2GLAATMMEN1NPC1
SCHEMBL9149889 0.88 NR5A1 (0.53) THRATHRBNR5A1SMN1; SMN2GLA
SCHEMBL9699832 0.87 NR5A1 (0.54) THRATHRBNR5A1CYSLTR2CYSLTR1
SCHEMBL9650866 0.86 NR5A1 (0.59) NR5A1SMN1; SMN2GLAS1PR2S1PR1
SCHEMBL10709145 0.84 HSD17B10 (0.50) MEN1NPC1HPGDRAB9AKMT2A
SCHEMBL9399929 0.83 THRA (0.53) THRATHRBSMN1; SMN2GLAS1PR2
SCHEMBL15894082 0.83 ALDH1A1 (0.60) THRATHRBSMN1; SMN2GLAMEN1

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
EP-0321984-B1 MESOMORPHIC COMPOUND HAVING BETA-HYDROXYCARBOXYL GROUP AS CHIRAL SOURCE AND LIQUID CRYSTAL COMPOSITION MITSUBISHI RAYON CO., LTD. (JP) 1992-10-21 EP disclosed
US-5147864-A Bronchodilator agent, antianaphylactic agent, antishock agent, cardiotonic agent and anticarcinogenic agent AMERICAN CYANAMID COMPANY (US) 1992-09-15 US disclosed
EP-0313379-B1 OPTICALLY ACTIVE COMPOUND HAVING DELTA-VALEROLACTONE RING AND LIQUID CRYSTAL COMPOSITION COMPRISING SAME MITSUBISHI RAYON CO., LTD. (JP) 1992-07-22 EP disclosed
US-5045228-A Useful for high speed print heads MITSUBISHI RAYON COMPANY LTD. (JP) 1991-09-03 US disclosed
US-4983592-A Bis-arylphosphate ester antagonists of platelet activating factor AMERICAN CYANAMID CO. (US) 1991-01-08 US disclosed
EP-0374513-A2 Novel bis-arylphosphate ester antagonists of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1990-06-27 EP disclosed
US-4925591-A FERROELECTRIC MITSUBISHI RAYON CO., LTD. (JP) 1990-05-15 US disclosed
EP-0321984-A1 Mesomorphic compound having beta-hydroxycarboxyl group as chiral source and liquid crystal composition MITSUBISHI RAYON CO., LTD. (JP) 1989-06-28 EP disclosed
EP-0313379-A2 Optically active compound having delta-valerolactone ring and liquid crystal composition comprising same MITSUBISHI RAYON CO., LTD. (JP) 1989-04-26 EP disclosed