SCHEMBL8764244

SCHEMBL8764244

CCCCCC[C@H](C)C(=O)Oc1ccc(C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.57
TSHR P16473 1/20 0.57
PLA2G4B P0C869 7/20 0.56
RARB P10826 5/20 0.54
PLA2G4A P47712 1/20 0.51
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.47
MAPK1 P28482 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
SCHEMBL9405705 1.00 TP53 (0.57) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL9405707 1.00 TP53 (0.57) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL17848853 0.88 MAPT (0.54) TP53TSHRPLA2G4BRARBMAPT
SCHEMBL28827576 0.87 NPC1 (0.47) TP53TSHRPLA2G4BMAPK1
SCHEMBL2294692 0.87 PRSS1 (0.50) TSHR
SCHEMBL1900961 0.87 PRSS1 (0.50) TSHR
SCHEMBL29266799 0.87 PRSS1 (0.50) TSHR
SCHEMBL2294967 0.87 PRSS1 (0.50) TSHR
SCHEMBL11699133 0.87 PRSS1 (0.50) TSHR
SCHEMBL27994629 0.87 PRSS1 (0.50) TSHR

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