SCHEMBL9698645

SCHEMBL9698645

CCCCCCC(C)OC(=O)c1ccc2cc(O)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.51
▸ TSHR P16473 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PNLIP P16233 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ HSD17B3 P37058 5/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ FAAH O00519 2/20 0.41
▸ LMNA P02545 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ MAPK1 P28482 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
SCHEMBL6933481 1.00 ALDH1A1 (0.51) ALDH1A1TSHRKDM4EKMT2AL3MBTL1
SCHEMBL9458665 0.93 ALDH1A1 (0.57) ALDH1A1TSHRKDM4EKMT2AL3MBTL1
SCHEMBL9458305 0.93 ALDH1A1 (0.57) ALDH1A1TSHRKDM4EKMT2AL3MBTL1
SCHEMBL9458329 0.92 ALDH1A1 (0.55) ALDH1A1TSHRKDM4EKMT2AL3MBTL1
SCHEMBL9458672 0.88 TSHR (0.50) ALDH1A1TSHRKDM4EKMT2AL3MBTL1
SCHEMBL9156502 0.86 ALDH1A1 (0.58) ALDH1A1TSHRPNLIPHSD17B3CA12
SCHEMBL6858916 0.86 ALDH1A1 (0.58) ALDH1A1TSHRPNLIPHSD17B3CA12
SCHEMBL6940362 0.86 ALDH1A1 (0.58) ALDH1A1TSHRPNLIPHSD17B3CA12
SCHEMBL8203333 0.86 ALDH1A1 (0.58) ALDH1A1TSHRPNLIPHSD17B3CA12
SCHEMBL1262159 0.86 ALDH1A1 (0.58) ALDH1A1TSHRPNLIPHSD17B3CA12

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-0517498-A1 Liquid crystal compounds and compositions SANYO CHEMICAL INDUSTRIES LTD. (JP) 1992-12-09 — — EP disclosed
US-5072021-A Liquid crystals MITSUI TOATSU CHEMICALS, INC. (JP) 1991-12-10 — — US disclosed
US-5061399-A FERROELECTRICITY THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1991-10-29 — — US disclosed
EP-0302875-B1 OPTICALLY ACTIVE NAPHTHALENE COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THEM THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN (GB) 1991-02-27 — — EP disclosed
EP-0302875-A1 OPTICALLY ACTIVE NAPHTHALENE COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THEM. SECR DEFENCE BRIT (GB) 1989-02-15 — — EP disclosed
WO-1987006577-A2 OPTICALLY ACTIVE NAPHTHALENE COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THEM THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNI (GB) 1987-11-05 — — WO disclosed
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