SCHEMBL18155477

SCHEMBL18155477

CCCCOc1ccc2c(C(=O)OC)nn(COCC[Si](C)(C)C)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.40
PLA2G2A P14555 2/20 0.39
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
SMPD1 P17405 2/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
PLA2G4A P47712 1/20 0.36
MAPK1 P28482 2/20 0.36

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
SCHEMBL15447644 0.84 ELANE (0.37) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL15447645 0.84 ELANE (0.42) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL14699276 0.83 ELANE (0.44) MAPTTSHRELANE
SCHEMBL2144581 0.80 ELANE (0.53) ALDH1A1MAPTRAB9AELANE
SCHEMBL14158206 0.80 ELANE (0.50) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL1636360 0.79 DGAT1 (0.46) MAOBALDH1A1HPGDMAPTMEN1
SCHEMBL15447643 0.79 DGAT1 (0.40) MAPT
SCHEMBL22532250 0.78 DGAT1 (0.35) ALDH1A1MAPTL3MBTL1KMT2AELANE
SCHEMBL1965693 0.77 DGAT1 (0.42) KDM4EALDH1A1HPGDMAPTRAB9A
SCHEMBL16532624 0.77 ELANE (0.52) MAPTTSHRL3MBTL1ELANE

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
EP-2885285-B1 PYRAZOLE DRIVATIVES WHICH INHIBIT LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2016-10-19 EP disclosed