SCHEMBL4591292

SCHEMBL4591292

O=C(O)C(OC(=O)C(F)(F)F)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.42
PPARG P37231 4/20 0.42
PPARA Q07869 2/20 0.42
CYP2D6 P10635 1/20 0.42
SRC P12931 1/20 0.42
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
CES1 P23141 1/20 0.39
GAA P10253 1/20 0.37

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
SCHEMBL5892872 0.86 ALDH1A1 (0.40) ALDH1A1CYP3A4CYP2D6SRCCES1
SCHEMBL27627675 0.83 KMT2A (0.51) ALDH1A1CYP3A4LMNAGAA
SCHEMBL7683069 0.81 ALDH1A1 (0.46) ALDH1A1CYP3A4PPARGPPARACYP2D6
SCHEMBL11791096 0.81 ALDH1A1 (0.42) ALDH1A1CYP3A4PPARGPPARACYP2D6
SCHEMBL7237442 0.81 ESR1 (0.49) ALDH1A1CYP2D6SRCLMNAMAPK1
SCHEMBL2755169 0.81 CES1 (0.42) ALDH1A1CYP3A4CYP2D6SRCLMNA
SCHEMBL18419643 0.79 ALDH1A1 (0.40) ALDH1A1CYP3A4PPARGPPARACYP2D6
SCHEMBL12134271 0.78 SRC (0.50) ALDH1A1CYP3A4PPARGPPARACYP2D6
SCHEMBL4727666 0.78 HCAR2 (0.53) ALDH1A1CYP3A4CYP2D6CES1
SCHEMBL5439594 0.78 CES1 (0.39) ALDH1A1CYP3A4CYP2D6SRCLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442485-B2 Lithographic process involving on press development FUJIFILM CORPORATION (JP) 2008-10-28 US disclosed
EP-1484177-B1 Lithographic process involving on press development FUJIFILM CORP (JP) 2007-08-29 EP disclosed
US-20050016402-A1 Lithographic process involving on press development FUJI PHOTO FILM CO., LTD. 2005-01-27 US disclosed
EP-1484177-A2 Lithographic process involving on press development FUJI PHOTO FILM CO., LTD. (JP) 2004-12-08 EP disclosed
US-4317821-A ANTITUMOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-03-02 US disclosed
US-4285957-A ANTIALLERGENS; ANTIHISTAMINES; BRONCHODILATOR AGENTS RICHARDSON-MERRELL INC. (US) 1981-08-25 US disclosed
US-4254129-A ANTIALLERGENS, BRONCHODILATORS, ANTIHISTAMINES; 4-DIPHENYLMETHYL PIPERIDINO-ALKANOLS RICHARDSON-MERRELL INC. (US) 1981-03-03 US disclosed