SCHEMBL3638544

SCHEMBL3638544

CC(=O)OC1(OC(C)=O)CCCC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
EP300 Q09472 1/20 0.31
HIF1A Q16665 1/20 0.31
CREBBP Q92793 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL1326935 0.97 ALDH1A1 (0.32) ALDH1A1TSHRNPSR1EP300HIF1A
SCHEMBL16020462 0.94 ALDH1A1 (0.33) ALDH1A1TSHREP300HIF1ACREBBP
SCHEMBL29222511 0.85 NPSR1 (0.33) ALDH1A1NPSR1
SCHEMBL28614103 0.83 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL17471359 0.80 ALDH1A1 (0.34) ALDH1A1TSHRNPSR1
SCHEMBL3505624 0.77 ALDH1A1 (0.31) ALDH1A1NPSR1
SCHEMBL22401415 0.77
SCHEMBL11782519 0.76 ALDH1A1 (0.32) ALDH1A1TSHRNPSR1EP300HIF1A
SCHEMBL135404 0.76 CYP19A1 (0.41) ALDH1A1TSHRNPSR1EP300HIF1A
SCHEMBL1020071 0.76 ALDH1A1 (0.32) ALDH1A1TSHRNPSR1EP300HIF1A

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-2170791-A1 METHOD FOR PRODUCING CYCLOPENT-4-ENE-1,3-DIOL OR CYCLOPENT-4-ENE-1,3-DIOL DERIVATIVES Archimica GmbH (DE) 2010-04-07 EP disclosed
WO-2008151750-A1 METHOD FOR PRODUCING CYCLOPENT-4-ENE-1,3-DIOL OR CYCLOPENT-4-ENE-1,3-DIOL DERIVATIVES ARCHIMICA GMBH (DE) 2008-12-18 WO disclosed
EP-0454511-B1 N-substituted heterocycle derivatives, their preparation, compositions containing them SANOFI SA (FR) 1998-06-17 EP disclosed
EP-0454511-A1 N-substituted heterocycle derivatives, their preparation, compositions containing them SANOFI (FR) 1991-10-30 EP disclosed
WO-1991014679-A1 HETEROCYCLIC N-SUBSTITUTED DERIVATIVES, THEIR PREPARATION AND THEPHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI (FR) 1991-10-03 WO disclosed
US-4338458-A Cyclopentane derivatives useful as perfuming agents FIRMENICH SA (CH) 1982-07-06 US disclosed