SCHEMBL9900449

SCHEMBL9900449

CON=C(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 10/20 0.50
CES1 P23141 9/20 0.50
TSHR P16473 1/20 0.47
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
GLA P06280 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.41
XBP1 P17861 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 1/20 0.41
TYMP P19971 1/20 0.41

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
SCHEMBL9900446 1.00 CES2 (0.50) CES2CES1TSHRMAPTALDH1A1
SCHEMBL3689392 0.86 TSHR (0.48) CES2CES1TSHRMAPTALDH1A1
SCHEMBL3958996 0.86 TSHR (0.48) CES2CES1TSHRMAPTALDH1A1
SCHEMBL8007984 0.86 TSHR (0.48) CES2CES1TSHRMAPTALDH1A1
SCHEMBL2045476 0.85 TSHR (0.44) CES2CES1TSHRMAPTALDH1A1
SCHEMBL2045474 0.85 TSHR (0.44) CES2CES1TSHRMAPTALDH1A1
SCHEMBL3689389 0.84 TSHR (0.47) CES2CES1TSHRMAPTALDH1A1
SCHEMBL3689388 0.84 TSHR (0.47) CES2CES1TSHRMAPTALDH1A1
SCHEMBL7805644 0.84 CES1 (0.48) CES2CES1TSHRMAPTALDH1A1
SCHEMBL7651351 0.84 CES1 (0.48) CES2CES1TSHRMAPTALDH1A1

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-8748531-B2 Polymers functionalized with oxime compounds containing an acyl group BRIDGESTONE CORPORATION (JP) 2014-06-10 US claimed
EP-2649102-A1 POLYMERS FUNCTIONALIZED WITH OXIME COMPOUNDS CONTAINING AN ACYL GROUP Bridgestone Corporation (JP) 2013-10-16 EP claimed
US-20120149833-A1 POLYMERS FUNCTIONALIZED WITH OXIME COMPOUNDS CONTAINING AN ACYL GROUP BRIDGESTONE CORPORATION (JP) 2012-06-14 US claimed
WO-2012078962-A1 POLYMERS FUNCTIONALIZED WITH OXIME COMPOUNDS CONTAINING AN ACYL GROUP BRIDGESTONE CORPORATION (JP) 2012-06-14 WO claimed
EP-2649102-B1 POLYMERS FUNCTIONALIZED WITH OXIME COMPOUNDS CONTAINING AN ACYL GROUP BRIDGESTONE CORP (JP) 2014-11-26 EP disclosed
US-8748531-B2 Polymers functionalized with oxime compounds containing an acyl group BRIDGESTONE CORPORATION (JP) 2014-06-10 US disclosed
US-20120149833-A1 POLYMERS FUNCTIONALIZED WITH OXIME COMPOUNDS CONTAINING AN ACYL GROUP BRIDGESTONE CORPORATION (JP) 2012-06-14 US disclosed