SCHEMBL4171758

SCHEMBL4171758

CCCCCNC(=O)/C=C\C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
ZDHHC2 Q9UIJ5 3/20 0.58
ZDHHC20 Q5W0Z9 3/20 0.58
EGFR P00533 1/20 0.57
TAAR1 Q96RJ0 2/20 0.53
EPHX1 P07099 6/20 0.52
APP P05067 1/20 0.49
HCAR2 Q8TDS4 1/20 0.47
CASP2 P42575 1/20 0.47

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
SCHEMBL9618288 1.00 ALDH1A1 (0.64) ALDH1A1ZDHHC2ZDHHC20EGFRTAAR1
SCHEMBL5465005 0.98 ALDH1A1 (0.62) ALDH1A1ZDHHC2ZDHHC20EGFRTAAR1
SCHEMBL9364410 0.98 ALDH1A1 (0.62) ALDH1A1ZDHHC2ZDHHC20EGFRTAAR1
SCHEMBL30764115 0.98 ALDH1A1 (0.62) ALDH1A1ZDHHC2ZDHHC20EGFRTAAR1
SCHEMBL444527 0.98 ALDH1A1 (0.62) ALDH1A1ZDHHC2ZDHHC20EGFRTAAR1
SCHEMBL24687428 0.98 ALDH1A1 (0.62) ALDH1A1ZDHHC2ZDHHC20EGFRTAAR1
SCHEMBL5756802 0.98 ALDH1A1 (0.62) ALDH1A1ZDHHC2ZDHHC20EGFRTAAR1
SCHEMBL1289327 0.98 ALDH1A1 (0.62) ALDH1A1ZDHHC2ZDHHC20EGFRTAAR1
SCHEMBL5756799 0.98 ALDH1A1 (0.62) ALDH1A1ZDHHC2ZDHHC20EGFRTAAR1
SCHEMBL5362501 0.98 ALDH1A1 (0.62) ALDH1A1ZDHHC2ZDHHC20EGFRTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4290868-A None JP disclosed
US-20090247680-A1 ADHESION PROMOTING ADDITIVE AVERY DENNISON CORPORATION (US) 2009-10-01 US disclosed
JP-H04290868-A PRODUCTION OF N-ARYLMALEIMIDE TOSOH CORP 1992-10-15 JP disclosed
EP-0080451-B1 METHOD AND COMPOSITION FOR DIENE RUBBER TREATMENT MONSANTO COMPANY (US) 1985-09-18 EP disclosed
US-4533575-A ETHYLENICALLY UNSATURATED POLYSILOXANE AND POLYHYDROSILOXANE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-08-06 US disclosed
US-4504645-A GELATION INHIBITION USING A MONOESTER OR -AMIDE OF AN UNSATURATED DICARBOXYLIC ACID; SHELF LIFE; HEAT CURING MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-03-12 US disclosed
US-4433114-A SULFUR OR ORGANOSULFUR COMPOUNDS, MALEAMIC ACID OR DERIVATIVES, TACKINESS, GREEN STRENGTH MONSANTO COMPANY (US) 1984-02-21 US disclosed
EP-0080451-A1 Method and composition for diene rubber treatment MONSANTO COMPANY (US) 1983-06-01 EP disclosed