SCHEMBL6990537

SCHEMBL6990537

C=C(CC(=O)OC)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.53
RAB9A P51151 2/20 0.49
TSHR P16473 2/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 2/20 0.45
HTT P42858 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 2/20 0.42
SRD5A2 P31213 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
SCHEMBL7499190 0.87 HPGD (0.50) HPGDRAB9ATSHRMAOAMAOB
SCHEMBL4109568 0.83 HPGD (0.55) HPGDRAB9ATSHRL3MBTL1KDM4E
SCHEMBL31266408 0.83 HPGD (0.55) HPGDRAB9ATSHRL3MBTL1KDM4E
SCHEMBL3668982 0.77 HPGD (0.53) HPGDTSHRL3MBTL1POLBKDM4E
SCHEMBL5631051 0.75 HPGD (0.68) HPGDRAB9ATSHRPOLBHTT
SCHEMBL24403927 0.75 TSHR (0.48) HPGDRAB9ATSHRMAOAMAOB
SCHEMBL2016516 0.74 TSHR (0.47) HPGDTSHRMAOAMAOBPOLB
SCHEMBL29822834 0.74 ALDH1A1 (0.64) HPGDRAB9ATSHRL3MBTL1HTT
SCHEMBL5393044 0.74 ALDH1A1 (0.64) HPGDRAB9ATSHRL3MBTL1HTT
SCHEMBL6810549 0.74 L3MBTL1 (0.57) HPGDTSHRL3MBTL1POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0987269-B1 SALTS OF OPTICALLY ACTIVE SULFOXIDE DERIVATIVE SANKYO CO (JP) 2003-08-13 EP disclosed
US-6448247-B1 TACHYKININ RECEPTOR ANTAGONIST; ESPECIALLY TO THE RECEPTORS FOR SUBSTANCE P (WHICH RECEPTORS ARE GENERALLY REFERRED TO AS ?NEUROKININ 1 RECEPTORS?) SANKYO COMPANY, LIMITED (JP) 2002-09-10 US disclosed
US-6362179-B1 PSYCHOLOGICAL DISORDERS; NERVOUS SYSTEM DISORDERS SANKYO COMPANY, LIMITED (JP) 2002-03-26 US disclosed
EP-0776893-B1 Azaheterocyclic compounds having tachykinin receptor antagonist activity; Nk1 and NK2 SANKYO CO (JP) 2002-02-27 EP disclosed
US-6159967-A Heterocyclic compounds having tachykinin receptor antagonist activity their preparation and their use SANKYO COMPANY, LIMITED (JP) 2000-12-12 US disclosed
EP-0987269-A1 SALTS OF OPTICALLY ACTIVE SULFOXIDE DERIVATIVE Sankyo Company Limited (JP) 2000-03-22 EP disclosed
EP-0776893-A1 Azaheterocyclic compounds having tachykinin receptor antagonist activity; Nk1 and NK2 SANKYO COMPANY LIMITED (JP) 1997-06-04 EP disclosed