SCHEMBL5636019

SCHEMBL5636019

CCCCC(CC)COCCC(O)S

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.59
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP14 P50281 1/20 0.49
ALDH1A1 P00352 6/20 0.46
TSHR P16473 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
CA2 P00918 3/20 0.40
HSD17B10 Q99714 1/20 0.39
RECQL P46063 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL5404285 0.85 CYP3A4 (0.62) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL28477059 0.84 CYP3A4 (0.61) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL15806949 0.83 CYP3A4 (0.69) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL1835296 0.82 CYP3A4 (0.74) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL2241603 0.81 CYP3A4 (0.78) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL11905467 0.81 CYP3A4 (0.71) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL5469162 0.81 CYP3A4 (0.78) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL3432858 0.81 CYP3A4 (0.71) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL1839353 0.81 CYP3A4 (0.71) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL13007628 0.81 CYP3A4 (0.71) CYP3A4MMP9MMP8MMP14ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109261-B2 Latent mercaptans as multi-functional additives for halogen-containing polymer compositions ROHM AND HAAS COMPANY (US) 2006-09-19 US disclosed
US-20050176862-A1 Latent mercaptans as multi-functional additives for halogen-containing polymer compositions PMC CINCINNATI, INC. 2005-08-11 US disclosed
US-6790892-B1 MERCAPTAN-CONTAINING HEAT STABILIZER COMPOSITION SUBSTANTIALLY FREE FROM OFFENSIVE ODOR ROHM AND HAAS COMPANY 2004-09-14 US disclosed
US-6743840-B1 HEAT STABILIZER; ODORLESS; DEGRADATION PRODUCTS OF A BLOCKED MERCAPTAN ROHM AND HAAS COMPANY 2004-06-01 US disclosed
US-6573318-B2 Highly effective heat stabilizers in halogenated polymer are prepared by the condensation of formaldehyde and para-substituted phenol and further condensation of the crude product with mercapto containing compound ROHM AND HAAS COMPANY 2003-06-03 US disclosed
US-6559214-B1 Composition comprising a halogen containing polymer and degradation products of a blocked mercaptan present as the sole heat stabilizer during processing of the composition at an elevated temperature, said products including a free PMC CINCINNATI, INC. 2003-05-06 US disclosed
US-6548707-B1 Deodorizing; heat and oxidation resistance; stabilizers ROHM AND HAAS COMPANY 2003-04-15 US disclosed
US-6537466-B1 Odor free heat stabilizers; also serve as intermediates for antioxidants, antimicrobial agents, photostabilizers, and primary heat stabilizers ROHM AND HAAS COMPANY 2003-03-25 US disclosed
US-20020068780-A1 LATENT MERCAPTANS AS MULTI-FUNCTIONAL ADDITIVES FOR HALOGEN-CONTAINING POLYMER COMPOSITIONS PMC CINCINNATI, INC. 2002-06-06 US disclosed