SCHEMBL8605437

SCHEMBL8605437

CCCCCCC(C)OC(=O)c1cc[c]cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
FAAH O00519 5/20 0.47
TSHR P16473 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
KDM4E B2RXH2 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 2/20 0.44
NAAA Q02083 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PNLIP P16233 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 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
SCHEMBL9407615 1.00 ALDH1A1 (0.58) ALDH1A1FAAHTSHRCNR1CNR2
SCHEMBL17845803 1.00 ALDH1A1 (0.58) ALDH1A1FAAHTSHRCNR1CNR2
SCHEMBL8946795 0.94 ALDH1A1 (0.50) ALDH1A1FAAHTSHRCNR1CNR2
SCHEMBL9345586 0.92 ALDH1A1 (0.53) ALDH1A1FAAHTSHRCNR1CNR2
SCHEMBL1704751 0.91 ALDH1A1 (0.64) ALDH1A1FAAHTSHRCNR1CNR2
SCHEMBL10448638 0.87 TSHR (0.43) ALDH1A1TSHRKMT2AL3MBTL1NPC1
SCHEMBL1142463 0.86 ALDH1A1 (0.72) ALDH1A1FAAHTSHRCNR1CNR2
SCHEMBL17897419 0.86 ALDH1A1 (0.59) ALDH1A1FAAHTSHRCNR1CNR2
SCHEMBL7129914 0.86 ALDH1A1 (0.59) ALDH1A1FAAHTSHRCNR1CNR2
SCHEMBL9493320 0.86 ALDH1A1 (0.59) ALDH1A1FAAHTSHRCNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0582519-A1 Liquid crystal composition, and element and device using the same Showa Shell Sekiyu Kabushiki Kaisha (JP) 1994-02-09 EP claimed
JP-9296174-A None JP disclosed
EP-0829469-A2 Racemic compound and anti-ferroelectric liquid crystal composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1998-03-18 EP disclosed
JP-H09296174-A LIQUID CRYSTAL ELEMENT UTILIZING NEW OPTICALLY ACTIVE COMPOUND BEARING AZO LINKAGE SHOWA SHELL SEKIYU KK 1997-11-18 JP disclosed
EP-0467662-B1 Liquid crystal racemic mixture, liquid crystal composition and liquid crystal element, process for manufacturing and uses thereof MITSUI PETROCHEMICAL IND (JP) 1995-02-15 EP disclosed
US-5246622-A LIQUID CRYSTAL RACEMIC MIXTURE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL ELEMENT, PROCESS FOR MANUFACTURING LIQUID CRYSTAL ELEMENT, AND USES OF LIQUID CRYSTAL ELEMENT MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-09-21 US disclosed