SCHEMBL6937628

SCHEMBL6937628

CC[C@H](C)COC(=O)c1ccc(OC(=O)c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.59
ADRB2 P07550 1/20 0.58
ADRB1 P08588 1/20 0.58
ADRB3 P13945 1/20 0.58
MAOB P27338 1/20 0.53
NR4A1 P22736 1/20 0.52
NR4A2 P43354 1/20 0.52
NR4A3 Q92570 1/20 0.52
LMNA P02545 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CHRNB2 P17787 1/20 0.51
CHRNA5 P30532 1/20 0.51
CHRNA7 P36544 1/20 0.51
CHRNA4 P43681 1/20 0.51
PARP10 Q53GL7 1/20 0.50
SRD5A2 P31213 1/20 0.49
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 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
SCHEMBL9456235 1.00 MAPT (0.59) MAPTADRB2ADRB1ADRB3MAOB
SCHEMBL9484001 0.93 MAPT (0.59) MAPTADRB2ADRB1ADRB3MAOB
SCHEMBL9639807 0.93 MAOB (0.56) MAPTADRB2ADRB1ADRB3MAOB
SCHEMBL9450093 0.89 MAPT (0.58) MAPTADRB2ADRB1ADRB3LMNA
SCHEMBL9511873 0.86 MAPT (0.54) MAPTADRB2ADRB1ADRB3LMNA
SCHEMBL9710281 0.86 MAPT (0.53) MAPTADRB2ADRB1ADRB3MAOB
SCHEMBL4953172 0.83 MAPT (0.66) MAPTADRB2ADRB1ADRB3LMNA
SCHEMBL9456360 0.83 MAPT (0.66) MAPTADRB2ADRB1ADRB3LMNA
SCHEMBL8537137 0.83 KMT2A (0.52) MAPTADRB2ADRB1ADRB3MAOB
SCHEMBL8537143 0.83 KMT2A (0.52) MAPTADRB2ADRB1ADRB3MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0962445-B1 Acetylene compound, liquid crystal composition and liquid crystal element MITSUI CHEMICALS INC (JP) 2003-02-26 EP disclosed
US-6217793-B1 Acetylene compound, liquid crystal composition and liquid crystal element MITSUI CHEMICALS, INC. (JP) 2001-04-17 US disclosed
EP-0962445-A1 Acetylene compound, liquid crystal composition and liquid crystal element Mitsui Chemicals, Inc. (JP) 1999-12-08 EP disclosed
US-5229032-A Reacting p-aminobenzoic acid with sodium nitrite, then with alkylmercaptane, mineral acids to form alkylthiobenzoic acid, esterification SHOWA DENKO K.K. (JP) 1993-07-20 US disclosed
US-5055225-A High speed response SHOWA DENKO K.K. (JP) 1991-10-08 US disclosed