SCHEMBL7107150

SCHEMBL7107150

O=C(Cl)N(c1ccccc1)C1CCCCC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.69
NPC1 O15118 2/20 0.69
RAB9A P51151 2/20 0.69
PAX8 Q06710 2/20 0.69
MEN1 O00255 1/20 0.69
MITF O75030 1/20 0.69
ALDH1A1 P00352 1/20 0.69
KMT2A Q03164 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
TRPM8 Q7Z2W7 5/20 0.59
CHRM2 P08172 3/20 0.49
CHRM3 P20309 3/20 0.49
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
PKM P14618 2/20 0.44
APAF1 O14727 1/20 0.44
TDP2 O95551 1/20 0.44
S1PR4 O95977 1/20 0.44
HSP90AA1 P07900 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL3371883 0.91 MITF (0.56) KDM4ENPC1RAB9APAX8MEN1
SCHEMBL15858966 0.88 KDM4E (0.55) KDM4ENPC1RAB9APAX8MEN1
SCHEMBL6215102 0.85 KDM4E (0.68) KDM4ENPC1RAB9APAX8MEN1
SCHEMBL5535883 0.84 NPC1 (0.50) KDM4ENPC1RAB9APAX8MEN1
SCHEMBL2395969 0.84 ALDH1A1 (0.66) KDM4ENPC1RAB9APAX8MEN1
SCHEMBL11407980 0.83 MEN1 (0.65) KDM4ENPC1RAB9APAX8MEN1
SCHEMBL11430874 0.82 ALDH1A1 (0.64) KDM4ENPC1RAB9APAX8MEN1
SCHEMBL4604800 0.82 ALDH1A1 (0.64) KDM4ENPC1RAB9APAX8MEN1
SCHEMBL6601536 0.82 KDM4E (0.64) KDM4ENPC1RAB9APAX8MEN1
SCHEMBL5992289 0.81 ALDH1A1 (1.00) KDM4ENPC1RAB9APAX8MEN1

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
CN-1167670-C Aryl carboxylic acid and tetrazole derivant - 2004-09-22 CN disclosed
EP-1013639-B1 Aryl carboxylic acid and tetrazole derivatives comprising a carbamoyloxy unit HOFFMANN LA ROCHE (CH) 2003-10-01 EP disclosed
US-6335459-B1 PROSTAGLANDIN I2 RECEPTOR MODULATORS; TREATING TISSUE NECROSIS, PREMATURE UTERINE CONTRACTION, GASTRIC ULCERATION, SEXUAL DYSFUNCTION, MENSTRUAL PAIN AND IMPROPER WOUND HEALING, IMMUNOREGULATION, PLATELET AGGREGATION OR NEUTROPHIL FUNCTION SYNTEX (U.S.A.) LLC 2002-01-01 US disclosed
CN-1266054-A Aryl carboxylic acid and tetrazole derivant HOFFMANN LA ROCHE (CH) 2000-09-13 CN disclosed
EP-1013639-A1 Aryl carboxylic acid and tetrazole derivatives comprising a carbamoyloxy unit F. HOFFMANN-LA ROCHE AG (CH) 2000-06-28 EP disclosed
US-4088766-A PRODUCTION OF PROSTAGLANDINS IN MAMMALS THE UPJOHN COMPANY (US) 1978-05-09 US disclosed
US-4001256-A PROSTAGLANDIN PRODUCTION IN MAMMALS THE UPJOHN COMPANY (US) 1977-01-04 US disclosed