SCHEMBL3436086

SCHEMBL3436086

COc1ccc(OC(=O)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.54
CES1 P23141 2/20 0.54
CA1 P00915 6/20 0.52
CA2 P00918 6/20 0.52
CA12 O43570 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 2/20 0.50
PARP1 P09874 1/20 0.50
PARP10 Q53GL7 1/20 0.50
PARP2 Q9UGN5 1/20 0.50
PARP4 Q9UKK3 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
GAA P10253 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL18686712 0.87 RAB9A (0.46) SMN1; SMN2LMNAALDH1A1HTTRAB9A
SCHEMBL12704882 0.81 LMNA (0.64) LMNACYP1A2CYP2C9CYP2C19GAA
SCHEMBL1398350 0.80 CES2 (0.58) CES2CES1CA1CA2CA12
SCHEMBL7061292 0.80 CES2 (0.58) CES2CES1CA1CA2CA12
SCHEMBL56202 0.78 CES2 (0.56) CES2CES1CA1CA2CA12
SCHEMBL18697279 0.78 KMT2A (0.46) CES2CES1CA1CA2SMN1; SMN2
SCHEMBL155983 0.78 LMNA (0.67) CES2CES1CA1CA2CA12
SCHEMBL56203 0.78 CA1 (0.60) CES2CES1CA1CA2CA12
SCHEMBL1871227 0.78 LMNA (0.67) CES2CES1CA1CA2CA12
SCHEMBL28983343 0.77 CES2 (0.50) CES2CES1CA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120094235-A1 ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN USING THE COMPOSITION FUJIFILM CORPORATION (JP) 2012-04-19 US disclosed