SCHEMBL724358

SCHEMBL724358

CCCOC(C)(OCCC)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
KIF11 P52732 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
SCN1A P35498 2/20 0.41
SCN2A Q99250 2/20 0.41
SCN3A Q9NY46 2/20 0.41
CHRM2 P08172 4/20 0.40
KCNN4 O15554 1/20 0.40
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRM1 P11229 3/20 0.39
CHRM3 P20309 3/20 0.39
CHRM4 P08173 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MLNR O43193 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL1802466 0.84 MAPK1 (0.46) MAPK1KIF11TAAR1ALDH1A1ALOX15
SCHEMBL28379443 0.83 LMNA (0.36) MAPK1KIF11TAAR1ALDH1A1ALOX15
SCHEMBL1224411 0.82 MAPK1 (0.56) MAPK1KIF11TAAR1ALDH1A1ALOX15
SCHEMBL10786977 0.82 CHRM2 (0.47) MAPK1KIF11TAAR1ALDH1A1ALOX15
SCHEMBL1356736 0.80 MAPK1 (0.43) MAPK1KIF11TAAR1ALDH1A1ALOX15
SCHEMBL6421037 0.79 KIF11 (0.43) MAPK1KIF11TAAR1ALDH1A1ALOX15
SCHEMBL2348691 0.79 KIF11 (0.65) MAPK1KIF11ALOX15CHRM2KCNN4
SCHEMBL8434800 0.79 KIF11 (0.43) MAPK1KIF11TAAR1ALDH1A1ALOX15
SCHEMBL1356738 0.78 ALDH1A1 (0.43) MAPK1KIF11TAAR1ALDH1A1ALOX15
SCHEMBL19012586 0.78 THRB (0.44) ALDH1A1SCN1ASCN2ASCN3ACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598550-B1 BINDER SYSTEM BASED ON POLYURETHANE FOR PRODUCING CORES AND CASTING MOLDS USING CYCLIC FORMALDEHYDES, MOLDING MATERIAL MIXTURE, AND METHOD ASK CHEMICALS GMBH (DE) 2014-12-31 EP disclosed
EP-2598550-A1 BINDER SYSTEM BASED ON POLYURETHANE FOR PRODUCING CORES AND CASTING MOLDS USING CYCLIC FORMALDEHYDES, MOLDING MATERIAL MIXTURE, AND METHOD ASK Chemicals GmbH (DE) 2013-06-05 EP disclosed
WO-2012025084-A1 BINDER SYSTEM BASED ON POLYURETHANE FOR PRODUCING CORES AND CASTING MOLDS USING CYCLIC FORMALDEHYDES, MOLDING MATERIAL MIXTURE, AND METHOD ASK CHEMICALS GMBH (DE) 2012-03-01 WO disclosed