SCHEMBL8970992

SCHEMBL8970992

CCCCCC[C@H](C)OC(=O)c1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA7 P43166 2/20 0.56
CA9 Q16790 2/20 0.56
CA14 Q9ULX7 2/20 0.56
TSHR P16473 3/20 0.54
ESR1 P03372 3/20 0.54
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
MAPK1 P28482 1/20 0.54
CYP2C19 P33261 1/20 0.54
NR1H2 P55055 1/20 0.54
RNASEL Q05823 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PNLIP P16233 1/20 0.53
HSD17B3 P37058 7/20 0.51
CHRM1 P11229 1/20 0.49

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
SCHEMBL6858916 1.00 ALDH1A1 (0.58) ALDH1A1CA12CA1CA2CA7
SCHEMBL6270148 1.00 ALDH1A1 (0.58) ALDH1A1CA12CA1CA2CA7
SCHEMBL8203333 1.00 ALDH1A1 (0.58) ALDH1A1CA12CA1CA2CA7
SCHEMBL6940362 1.00 ALDH1A1 (0.58) ALDH1A1CA12CA1CA2CA7
SCHEMBL9156502 1.00 ALDH1A1 (0.58) ALDH1A1CA12CA1CA2CA7
SCHEMBL1262159 1.00 ALDH1A1 (0.58) ALDH1A1CA12CA1CA2CA7
SCHEMBL10397291 1.00 ALDH1A1 (0.58) ALDH1A1CA12CA1CA2CA7
SCHEMBL10398699 1.00 ALDH1A1 (0.58) ALDH1A1CA12CA1CA2CA7
SCHEMBL4651346 0.98 CA12 (0.57) ALDH1A1CA12CA1CA2CA7
SCHEMBL6390359 0.98 CA12 (0.57) ALDH1A1CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0493601-B1 LIQUID-CRYSTAL COPOLYMER, PRODUCTION THEREOF, DIENE COMPOUND USED IN SAID PRODUCTION, AND PRODUCTION OF SAID COMPOUND IDEMITSU KOSAN CO (JP) 1996-03-20 EP disclosed
US-5425897-A Electrooptics IDEMITSU KOSAN CO., LTD. (JP) 1995-06-20 US disclosed
US-5380915-A Copolymers of polydimethylsiloxane with diene ethers IDEMITSU KOSAN CO., LTD. (JP) 1995-01-10 US disclosed
US-5324451-A Excellent response and memory DAINIPPON INK AND CHEMICALS, INC. (JP) 1994-06-28 US disclosed
US-5281685-A Polyether pendant groups, polysiloxane repeating units IDEMITSU KOSAN CO., LTD. (JP) 1994-01-25 US disclosed
EP-0329153-B1 NOVEL LACTIC ACID DERIVATIVES AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THE SAME DAINIPPON INK AND CHEMICALS, INC. (JP) 1992-10-21 EP disclosed
EP-0493601-A1 LIQUID-CRYSTAL COPOLYMER, PRODUCTION THEREOF, DIENE COMPOUND USED IN SAID PRODUCTION, AND PRODUCTION OF SAID COMPOUND IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-07-08 EP 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-0329153-A2 Novel lactic acid derivatives and liquid crystal compositions containing the same DAINIPPON INK AND CHEMICALS, INC. (JP) 1989-08-23 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