SCHEMBL11340341

SCHEMBL11340341

CCCCC(C/C=C/I)OC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.34
CTSK P43235 9/20 0.33
CTSL P07711 4/20 0.32
CTSB P07858 4/20 0.32
PRSS1 P07477 1/20 0.32
CTSG P08311 1/20 0.32
CTRB1 P17538 1/20 0.32
CMA1 P23946 1/20 0.32
CTSH P09668 2/20 0.31
MMP1 P03956 4/20 0.31
MMP7 P09237 3/20 0.31
MMP12 P39900 3/20 0.31
MMP13 P45452 3/20 0.31
ACE P12821 2/20 0.31
KIF11 P52732 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.31
CA2 P00918 1/20 0.31
CTSS P25774 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
SCHEMBL11340343 1.00 CNR2 (0.34) CNR2CTSKCTSLCTSBPRSS1
SCHEMBL11349309 0.96 CNR2 (0.35) CNR2PRSS1CTSGCTRB1CMA1
SCHEMBL11349315 0.96 CNR2 (0.35) CNR2PRSS1CTSGCTRB1CMA1
SCHEMBL11503776 0.86 CNR2 (0.31) CNR2CTSKCTSLCTSB
SCHEMBL11503775 0.86 CNR2 (0.31) CNR2CTSKCTSLCTSB
SCHEMBL11539661 0.84 KIF11 (0.31) KIF11
SCHEMBL11503624 0.84 CNR2 (0.30) CNR2CTSK
SCHEMBL11503620 0.83 CTSK (0.32) CNR2CTSKCTSLCTSBPRSS1
SCHEMBL11503619 0.83 CTSK (0.32) CNR2CTSKCTSLCTSBPRSS1
SCHEMBL11345944 0.81 SOAT2 (0.34) CNR2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4179451-A HYPOTENSIVE, ANTIULCER, BRONCHODILATOR, ANTICONVULSANTS OR ANTIMICROBIAL AGENTS AMERICAN CYANAMID COMPANY (US) 1979-12-18 US claimed
US-4297516-A PROSTAGLANDINS AMERICAN CYANAMID COMPANY (US) 1981-10-27 US disclosed
EP-0002590-B1 NOVEL PROSTAGLANDIN COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMERICAN CYANAMID COMPANY (US) 1981-09-30 EP disclosed
US-4254285-A 1-Hydroxymethyl-1-1-oxo prostane derivatives of the E and F series AMERICAN CYANAMID COMPANY (US) 1981-03-03 US disclosed
US-4235797-A CHEMICAL INTERMEDIATES FOR PROSTAGLANDINS AMERICAN CYANAMID COMPANY (US) 1980-11-25 US disclosed
US-4218566-A BRONCHODILATORS, ANTIINFLAMMATORY AGENTS AMERICAN CYANAMID COMPANY (US) 1980-08-19 US disclosed
US-4212969-A PROSTAGLANDINS AMERICAN CYANAMID COMPANY (US) 1980-07-15 US disclosed
US-4202822-A PROSTAGLANDINS AMERICAN CYANAMID COMPANY (US) 1980-05-13 US disclosed
US-4197245-A 1-Hydroxymethyl-1-oxo-prostane derivatives of the A1 series AMERICAN CYANAMID COMPANY (US) 1980-04-08 US disclosed
US-4189597-A PROSTAGLANDINS, BRONCHODILATORS AMERICAN CYANAMID COMPANY (US) 1980-02-19 US disclosed
US-4172839-A PROSTAGLANDINS AMERICAN CYANAMID COMPANY (US) 1979-10-30 US disclosed
US-4170597-A 1-Hydroxymethyl-1-oxo-prostane derivatives of the E2 series AMERICAN CYANAMID COMPANY (US) 1979-10-09 US disclosed
US-4165331-A PROSTAGLANDINS/AND DERIVATIVES AMERICAN CYANAMID COMPANY (US) 1979-08-21 US disclosed
US-4154959-A 11-(2-Hydroxyethylthio)prostenoic acid E series derivatives AMERICAN CYANAMID COMPANY (US) 1979-05-15 US disclosed
US-4154954-A BRONCHODILATOR AGENTS; ANTIINFLAMMATORY AGENTS AMERICAN CYANAMID COMPANY (US) 1979-05-15 US disclosed
US-4107441-A HYPOTENSIVE, ANTIULCER, BRONCHODILATORS, ANTIMICROBIAL, ANTICONVULSANTS AMERICAN CYANAMID COMPANY (US) 1978-08-15 US disclosed
US-4085272-A BRONCHODILATORS, INFLAMMATORY MEDEATOR RELEASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1978-04-18 US disclosed
US-4061672-A Derivatives of 9-hydroxy-13-trans-prostenoic acid AMERICAN CYANAMID COMPANY (US) 1977-12-06 US disclosed
US-RE29469-E PROSTAGLANDINS; BRONCHODILATORS, HYPOTENSIVES, ANTIULCER AGENTS AMERICAN CYANAMID COMPANY (US) 1977-11-08 US disclosed
US-3950406-A BRONCHODILATORS, HYPOTENSIVE, ANTIULCER AMERICAN CYANAMID COMPANY (US) 1976-04-13 US disclosed