SCHEMBL7925741

SCHEMBL7925741

CCCCCCCCCCCCC1C=COC(O)C1=O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.40
POLB P06746 1/20 0.36
FASN P49327 1/20 0.36
DNTT P04053 1/20 0.35
CYP1A2 P05177 2/20 0.35
CES2 O00748 1/20 0.35
PDCD4 Q53EL6 2/20 0.34
TYR P14679 1/20 0.33

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
SCHEMBL9397305 0.86 KAT2A (0.30)
SCHEMBL11766874 0.78 NFKB1 (0.41) PPARGDNTTCYP1A2CES2
SCHEMBL665389 0.73 CYP1A2 (0.39) PPARGPOLBFASNDNTTCYP1A2
SCHEMBL3174394 0.73 CYP1A2 (0.39) PPARGPOLBFASNDNTTCYP1A2
SCHEMBL663701 0.73 CYP1A2 (0.39) PPARGPOLBFASNDNTTCYP1A2
SCHEMBL29222062 0.73 CYP1A2 (0.39) PPARGPOLBFASNDNTTCYP1A2
SCHEMBL15152182 0.70 CYP1A2 (0.36) PPARGPOLBFASNDNTTCYP1A2
SCHEMBL28659621 0.66 CYP1A2 (0.36) PPARGDNTTCYP1A2CES2
SCHEMBL4021367 0.62 DNTT (0.42) PPARGDNTTCYP1A2CES2
SCHEMBL6235486 0.62 DNTT (0.36) PPARGPOLBDNTTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0748626-B1 PATCH CONTAINING ISOSORBIDE DINITRATE AND PREPARED BY USING ADHESIVE MIXTURE TEIJIN LTD (JP) 2001-08-16 EP disclosed
US-5762954-A COMPRISES A PRESSURE SENSITIVE ADHESIVE LAYER FORMED ON A FLEXIBLE SUPPORT, ADHESIVE BEING COMPOSED OF POLYSILOXANE AND COPOLYMER OF VINYL ACETATE, AND ISOSORBIDE DINITRATE; USEFUL FOR DRUG DELIVERY; SUSTAINED RELEASE TEIJIN LIMITED (JP) 1998-06-09 US disclosed
EP-0748626-A1 PATCH CONTAINING ISOSORBIDE DINITRATE AND PREPARED BY USING ADHESIVE MIXTURE TEIJIN LIMITED (JP) 1996-12-18 EP disclosed
US-5470563-A Polyethersiloxane SHISEIDO COMPANY LTD. (JP) 1995-11-28 US disclosed
EP-0266921-A2 Skin irritation alleviation agent and composition thereof SHISEIDO COMPANY LIMITED (JP) 1988-05-11 EP disclosed