SCHEMBL7670643

SCHEMBL7670643

[CH2]C(=O)NCCCC(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
EPHX2 P34913 6/20 0.49
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
CA12 O43570 1/20 0.42
CA14 Q9ULX7 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL16246880 0.86 TSHR (0.55) TSHREPHX2ALDH1A1LMNACA12
SCHEMBL4692794 0.82 CYP1A2 (0.52) EPHX2ALDH1A1SMN1; SMN2
SCHEMBL21538522 0.80 TSHR (0.61) TSHREPHX2ALDH1A1LMNASMN1; SMN2
SCHEMBL407248 0.80 TSHR (0.61) TSHREPHX2ALDH1A1LMNASMN1; SMN2
SCHEMBL28333574 0.79 TSHR (0.75) TSHREPHX2ALDH1A1LMNACA12
SCHEMBL15044413 0.78 TSHR (0.58) TSHREPHX2ALDH1A1LMNASMN1; SMN2
SCHEMBL26478859 0.78 ZDHHC20 (0.56) TSHREPHX2ALDH1A1LMNASMN1; SMN2
SCHEMBL9863497 0.77 TSHR (0.64) TSHREPHX2ALDH1A1LMNARECQL
SCHEMBL16620817 0.77 RECQL (0.61) TSHREPHX2ALDH1A1LMNARECQL
SCHEMBL19934140 0.77 MEN1 (0.64) TSHREPHX2ALDH1A1SMN1; SMN2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6355640-B1 TREATMENT OF HYPERTENSION, UROGENITAL DISORDERS AND FORMED BY WITTIG REACTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-12 US disclosed
US-5773530-A USEFUL AS PSYCHOSTIMULANTS, ANTIHYPERTENSIVE AGENTS AND REMEDIES FOR RENAL FAILURE, DIURETICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-30 US disclosed
EP-0737193-A1 PYRAZOLOPYRIDINE ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-16 EP disclosed
WO-1995018128-A1 PYRAZOLOPYRIDINE ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-06 WO disclosed