SCHEMBL7617286

SCHEMBL7617286

CCCCCCOC(N)CCC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.52
OPRM1 P35372 1/20 0.41
LPAR3 Q9UBY5 5/20 0.40
LPAR2 Q9HBW0 4/20 0.40
LPAR1 Q92633 2/20 0.40
CA1 P00915 8/20 0.39
CA2 P00918 8/20 0.39
CA9 Q16790 7/20 0.39
CA12 O43570 3/20 0.39
CA7 P43166 3/20 0.39
CA14 Q9ULX7 3/20 0.39
CA3 P07451 2/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
CA5A P35218 2/20 0.39
CA5B Q9Y2D0 2/20 0.39
SPHK1 Q9NYA1 1/20 0.39

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
SCHEMBL29291656 0.91 DNM1 (0.52) DNM1OPRM1LPAR3LPAR2LPAR1
SCHEMBL8014503 0.91 DNM1 (0.52) DNM1OPRM1LPAR3LPAR2LPAR1
SCHEMBL714200 0.91 DNM1 (0.52) DNM1OPRM1LPAR3LPAR2LPAR1
SCHEMBL715487 0.91 DNM1 (0.52) DNM1OPRM1LPAR3LPAR2LPAR1
SCHEMBL715800 0.91 DNM1 (0.52) DNM1OPRM1LPAR3LPAR2LPAR1
SCHEMBL221476 0.91 DNM1 (0.52) DNM1OPRM1LPAR3LPAR2LPAR1
SCHEMBL11551524 0.91 DNM1 (0.52) DNM1OPRM1LPAR3LPAR2LPAR1
SCHEMBL715251 0.91 DNM1 (0.52) DNM1OPRM1LPAR3LPAR2LPAR1
SCHEMBL722493 0.91 DNM1 (0.52) DNM1OPRM1LPAR3LPAR2LPAR1
SCHEMBL15923219 0.91 DNM1 (0.52) DNM1OPRM1LPAR3LPAR2LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6403826-B1 SALTS OF AMINOPHOSPHONIC ACIDS OR AMINOPHOSPHOROUS ACIDS WITH ZIRCONIUM, BISMUTH, CALCIUM OR CERTAIN AMINES CIBA SPECIALTY CHEMICALS CORPORATION 2002-06-11 US disclosed
US-6160164-A Corrosion-inhibiting coating composition for metals CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-12-12 US disclosed
WO-2000043459-A1 CORROSION-INHIBITING COATING COMPOSITIONS FOR METALS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-07-27 WO disclosed
US-5980619-A INHIBITING OR ELIMINATING METAL CORROSION CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-11-09 US disclosed
EP-0412933-B1 Coating compositions CIBA GEIGY AG (CH) 1994-09-14 EP disclosed
EP-0375614-B1 CORROSION-INHIBITING COATING COMPOSITIONS CIBA-GEIGY AG (CH) 1993-03-31 EP disclosed
US-5198482-A Benzothiazole carboxylic acid amine salt CIBA-GEIGY CORPORATION (US) 1993-03-30 US disclosed
US-5183842-A Mixture of ketoacid and amine with film-forming binder, curing CIBA-GEIGY CORPORATION (US) 1993-02-02 US disclosed
US-5128396-A Corrosion inhibiting primers on metallic substrates CIBA-GEIGY CORPORATION (US) 1992-07-07 US disclosed
EP-0412933-A1 Coating compositions CIBA-GEIGY AG (CH) 1991-02-13 EP disclosed
EP-0375614-A1 Corrosion-inhibiting coating compositions CIBA-GEIGY AG (CH) 1990-06-27 EP disclosed