SCHEMBL7623367

SCHEMBL7623367

CC(C(=O)OCCS)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.46
CHRM3 P20309 4/20 0.46
CHRM2 P08172 3/20 0.46
CHRM4 P08173 3/20 0.46
PTGS2 P35354 4/20 0.46
PTGS1 P23219 2/20 0.46
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 1/20 0.43
MME P08473 2/20 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
SCHEMBL4192926 0.84 LMNA (0.55) CHRM1CHRM3CHRM2CHRM4PTGS2
SCHEMBL28283552 0.82 SLC22A1 (0.53) CHRM1CHRM3CHRM2CHRM4PTGS2
SCHEMBL27515436 0.82 LMNA (0.47) CHRM1CHRM3CHRM2CHRM4PTGS2
SCHEMBL10445350 0.82 CHRM1 (0.46) CHRM1CHRM3CHRM2CHRM4PTGS2
SCHEMBL11861916 0.81 KMT2A (0.48) CHRM1CHRM3CHRM2CHRM4PTGS2
SCHEMBL8066953 0.81 HCAR2 (0.50) CHRM1CHRM3CHRM2CHRM4PTGS2
SCHEMBL11808202 0.81 TSHR (0.54) CHRM1CHRM3CHRM2CHRM4LMNA
SCHEMBL15896735 0.81 TSHR (0.54) CHRM1CHRM3CHRM2CHRM4LMNA
SCHEMBL13156984 0.81 TSHR (0.54) CHRM1CHRM3CHRM2CHRM4LMNA
Hydrochloric Acid SCHEMBL30626441 0.81 IDO1 (0.47) CHRM1CHRM3CHRM2CHRM4PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850987-B1 Improved PVC foam compositions MORTON INT INC (US) 2002-03-27 EP disclosed
US-5786399-A PVC foam compositions MORTON INTERNATIONAL, INC. (US) 1998-07-28 US disclosed
EP-0850987-A1 Improved PVC foam compositions MORTON INTERNATIONAL, INC. (US) 1998-07-01 EP disclosed
US-5753719-A ACTIVATOR FOR BLOWING AGENTS MORTON INTERNATIONAL, INC. (US) 1998-05-19 US disclosed
US-5726213-A FOAMING VINYL CHLORIDE POLYMER BY HEATING MIXTURE OF POLYMER, BLOWING AGENT, STABILIZER INCLUDING ORGANOTIN MERCAPTIDE OF MERCAPTOALKYL CARBOXYLATE OR SULFIDE THEREOF, OPTIONAL ORGANOTIN SALT MORTON INTERNATIONAL, INC. (US) 1998-03-10 US disclosed
EP-0254392-A2 Stabilizers for halogen-containing polymers MORTON INTERNATIONAL, INC. (US) 1988-01-27 EP disclosed
US-4711920-A HEAT AND RADIATION RESISTANCE; WEATHERPROOFING; NONIRRITATING TO EYES AND MUCUS MEMBRANES MORTON THIOKOL, INC. (US) 1987-12-08 US disclosed
US-RE30810-E HEAT STABILIZERS FOR POLYMERS THIOKOL CORPORATION (US) 1981-12-01 US disclosed
US-4179432-A 2-HYDROXYBENZOPHENONE, ORGANOTIN MERCAPTIDE PHOTOSTABILITY CINCINNATI MILACRON CHEMICALS, INC. (US) 1979-12-18 US disclosed
US-RE30032-E POLYMER STABILIZERS CINCINNATI MILACRON CHEMICALS, INC. (US) 1979-06-12 US disclosed
US-4120845-A FOR VINYL OR VINYLIDENE HALIDE POLYMERS CINCINNATI MILACRON CHEMICALS, INC. (US) 1978-10-17 US disclosed
US-4062881-A POLYVINYL CHLORIDE CINCINNATI MILACRON CHEMICALS, INC. (US) 1977-12-13 US disclosed
US-3979359-A STABILIZERS FOR VINYL- AND VINYLIDENE HALIDE POLYMERS CINCINNATI MILACRON CHEMICALS, INC. (US) 1976-09-07 US disclosed