SCHEMBL8764265

SCHEMBL8764265

CCCCCCCCCCOC1CCc2cc(C(=O)Oc3ccc(C(=O)OCc4ccccc4)cc3)ccc2C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
S1PR1 P21453 7/20 0.41
SGPL1 O95470 5/20 0.41
HIF1A Q16665 3/20 0.40

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
SCHEMBL8763562 0.87 TP53 (0.47) TSHRS1PR1SGPL1
SCHEMBL8533556 0.87 TAOK3 (0.45) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL11208804 0.85 S1PR1 (0.44) MAPTS1PR1SGPL1
SCHEMBL11209631 0.85 S1PR1 (0.44) MAPTS1PR1SGPL1
SCHEMBL11207311 0.84 S1PR1 (0.45) MCHR1MAPTCYP3A4S1PR1SGPL1
SCHEMBL11210804 0.82 S1PR1 (0.44) CYP3A4S1PR1SGPL1
SCHEMBL11208842 0.81 S1PR1 (0.43) MAPTCYP3A4S1PR1SGPL1
SCHEMBL8763749 0.80 S1PR1 (0.52) TSHRS1PR1SGPL1
SCHEMBL3553425 0.78 LMNA (0.47) MCHR1MAPTALDH1A1HPGDKMT2A
SCHEMBL9663346 0.78 NPC1 (0.62) MAPTALDH1A1MEN1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0566379-B1 Tetralin compound, liquid crystal material, liquid crystal composition and liquid crystal element MITSUI PETROCHEMICAL IND (JP) 1997-07-23 EP disclosed
US-5346646-A Tetralin compound, liquid crystal material, liquid crystal composition and liquid crystal element MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-09-13 US disclosed
EP-0566379-A2 Tetralin compound, liquid crystal material, liquid crystal composition and liquid crystal element MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-10-20 EP disclosed