SCHEMBL9000313

SCHEMBL9000313

CCCC1CCC(c2ccc(OC[C@@H]3CO3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
MAPT P10636 3/20 0.52
TP53 P04637 3/20 0.52
TSHR P16473 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
HPGD P15428 2/20 0.52
HIF1A Q16665 2/20 0.52
CYP1A2 P05177 1/20 0.52
PPARG P37231 1/20 0.52
LMNA P02545 2/20 0.49
CYP2C9 P11712 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
MAPK1 P28482 1/20 0.46
PKM P14618 2/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 2/20 0.43
DRD2 P14416 1/20 0.40
ESR2 Q92731 1/20 0.38

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
SCHEMBL9000304 1.00 ALDH1A1 (0.52) ALDH1A1MAPTTP53TSHRMEN1
SCHEMBL9227659 0.91 ALDH1A1 (0.49) ALDH1A1MAPTTP53TSHRMEN1
SCHEMBL13703947 0.91 ALDH1A1 (0.46) ALDH1A1MAPTTP53TSHRMEN1
SCHEMBL10515752 0.91 ALDH1A1 (0.49) ALDH1A1MAPTTP53TSHRMEN1
SCHEMBL9296829 0.91 ALDH1A1 (0.49) ALDH1A1MAPTTP53TSHRMEN1
SCHEMBL9228061 0.91 ALDH1A1 (0.49) ALDH1A1MAPTTP53TSHRMEN1
SCHEMBL9618337 0.87 CYP2C9 (0.54) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL9618338 0.87 CYP2C9 (0.54) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL2717675 0.87 TDP1 (0.61) ALDH1A1MAPTTP53TSHRMEN1
SCHEMBL9775621 0.83 CYP2C9 (0.50) ALDH1A1MAPTMEN1KMT2ALMNA

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
US-5507975-A CONTAINING COMPOUND HAVING OPTICALLY ACTIVE LACTONE GROUP SHARP KABUSHIKI KAISHA (JP) 1996-04-16 US disclosed
EP-0442504-B1 Ferroelectric liquid crystal device SHARP KK (JP) 1995-05-03 EP disclosed
US-5395553-A Liquid crystalline compounds, liquid crystal compositions containing the same and use thereof DAISO CO., LTD. (JP) 1995-03-07 US disclosed
EP-0410447-B1 Liquid crystalline compounds, liquid crystal compositions containing the same and use thereof DAISO CO LTD (JP) 1994-11-17 EP disclosed
US-5338482-A Liquid crystalline compounds, liquid crystal compositions containing the same and use thereof DAISO CO., LTD. (JP) 1994-08-16 US disclosed
US-5324450-A Stable optically active glycidyl ether derivatives DAISO CO., LTD. (JP) 1994-06-28 US disclosed
US-5308540-A REACTING AN OPTICALLY ACTIVE GLYCIDYL ETHER WITH A MALONATE IN THE PRESENCE OF A BASE IN AN ORGANIC SOLVENT TO PRODUCE A COMPOUND HAVING AN OPTICALLY ACTIVE LACTONE RING DAISO CO., LTD. (JP) 1994-05-03 US disclosed
EP-0306919-B1 LIQUID CRYSTALLINE COMPOUNDS AND PROCESS FOR PRODUCTION THEREOF DAISO CO., LTD. (JP) 1993-02-17 EP disclosed
EP-0442504-A2 Ferroelectric liquid crystal device SHARP KABUSHIKI KAISHA (JP) 1991-08-21 EP disclosed
EP-0410447-A2 Liquid crystalline compounds, liquid crystal compositions containing the same and use thereof DAISO CO., LTD. (JP) 1991-01-30 EP disclosed
US-4909957-A Containing lactone ring structure DAISO CO., LTD. (JP) 1990-03-20 US disclosed
EP-0306919-A2 Liquid crystalline compounds and process for production thereof DAISO CO., LTD. (JP) 1989-03-15 EP disclosed