SCHEMBL3106072

SCHEMBL3106072

Cc1cc(C(C)(C)C)c(OCC(CO)(COP(O)O)COP(O)O)c(C(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.36
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CA2 P00918 1/20 0.36
POLB P06746 1/20 0.36
TYR P14679 1/20 0.36
HSPA5 P11021 1/20 0.34
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
HIF1A Q16665 2/20 0.33
HSD17B10 Q99714 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
SCHEMBL30880077 0.93 SMN1; SMN2 (0.39) CYP2D6CYP3A4SMN1; SMN2ALDH1A1CA2
SCHEMBL28706484 0.88 CYP2D6 (0.38) CYP2D6CYP3A4SMN1; SMN2ALDH1A1CA2
SCHEMBL28610704 0.88 CYP2D6 (0.43) CYP2D6CYP3A4SMN1; SMN2ALDH1A1CA2
SCHEMBL3106078 0.88 CYP2D6 (0.43) CYP2D6CYP3A4SMN1; SMN2ALDH1A1CA2
SCHEMBL2232697 0.86 SMN1; SMN2 (0.44) CYP2D6CYP3A4SMN1; SMN2ALDH1A1CA2
SCHEMBL3995929 0.78 SMN1; SMN2 (0.37) CYP2D6CYP3A4SMN1; SMN2ALDH1A1CA2
Pyrophosphoric Acid SCHEMBL5181896 0.76 HSPA5 (0.36) CYP2D6CYP3A4SMN1; SMN2ALDH1A1CA2
SCHEMBL28716411 0.74 HSPA5 (0.39) CYP3A4ALDH1A1HSPA5CYP2C9CYP2C19
SCHEMBL7948650 0.74 APEX1 (0.38) SMN1; SMN2ALDH1A1CYP2C19HSD17B10
SCHEMBL3671836 0.74 SMN1; SMN2 (0.41) CYP2D6CYP3A4SMN1; SMN2ALDH1A1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023176480-A1 POLYOLEFIN RESIN FILM ROLL 東洋紡株式会社 2023-09-21 WO disclosed
WO-2023176481-A1 MASTERBATCH PELLETS 東洋紡株式会社 2023-09-21 WO disclosed
WO-2023176482-A1 METHOD FOR PRODUCING POLYOLEFIN RESIN FILM 東洋紡株式会社 2023-09-21 WO disclosed
US-10703856-B2 Epoxy resin composition and cured product of same DAICEL CORPORATION (JP) 2020-07-07 US disclosed
US-20170096522-A1 EPOXY RESIN COMPOSITION AND CURED PRODUCT OF SAME DAICEL CORPORATION (JP) 2017-04-06 US disclosed
EP-3150650-A1 EPOXY RESIN COMPOSITION AND CURED PRODUCT OF SAME Daicel Corporation (JP) 2017-04-05 EP disclosed
US-9238710-B2 Polyester resin composition, production method thereof and laminate polyester film TORAY INDUSTRIES, INC. (JP) 2016-01-19 US disclosed
US-8927629-B2 Resin composition and molded article FUJIFILM CORPORATION (JP) 2015-01-06 US disclosed
US-20140058022-A1 RESIN COMPOSITION AND MOLDED ARTICLE FUJIFILM CORPORATION (JP) 2014-02-27 US disclosed
US-20100178524-A1 POLYESTER RESIN COMPOSITION, PRODUCTION METHOD THEREOF AND LAMINATE POLYESTER FILM TORAY INDUSTRIES, INC. (JP) 2010-07-15 US disclosed
EP-1692241-A2 RADIATION RESISTANT POLYPROPYLENE USEFUL IN MEDICAL APPLICATIONS Huntsman Polymers Corporation (US) 2006-08-23 EP disclosed
WO-2005056661-A2 RADIATION RESISTANT POLYPROPYLENE USEFUL IN MEDICAL APPLICATIONS HUNTSMAN POLYMERS CORPORATION (US) 2005-06-23 WO disclosed