SCHEMBL28097833

SCHEMBL28097833

C=C(N)C(=O)Oc1ccc(C(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.50
ACR P10323 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 3/20 0.45
XBP1 P17861 1/20 0.45
KIF11 P52732 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40

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
SCHEMBL4594842 0.84 ELANE (0.56) PRSS1ACRSMN1; SMN2RAB9AMEN1
SCHEMBL9576707 0.82 SMN1; SMN2 (0.47) PRSS1ACRSMN1; SMN2RAB9AMEN1
SCHEMBL14625736 0.81 PRSS1 (0.47) PRSS1ACRSMN1; SMN2RAB9AMEN1
SCHEMBL2729152 0.81 PRSS1 (0.55) PRSS1ACRSMN1; SMN2RAB9AMEN1
SCHEMBL28073639 0.79 CA1 (0.53) PRSS1ACRSMN1; SMN2RAB9ACA12
SCHEMBL9577312 0.79 SMN1; SMN2 (0.51) PRSS1ACRSMN1; SMN2RAB9AMEN1
SCHEMBL11555462 0.79 KMT2A (0.48) PRSS1ACRSMN1; SMN2RAB9AMEN1
SCHEMBL236821 0.77 SMN1; SMN2 (0.56) PRSS1ACRSMN1; SMN2RAB9AMEN1
SCHEMBL28833766 0.75 MAPT (0.51) PRSS1ACRSMN1; SMN2RAB9AMEN1
SCHEMBL26814928 0.75 SMN1; SMN2 (0.47) PRSS1ACRSMN1; SMN2RAB9AMEN1

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
CN-103917094-B Glucosylceramide Synthase Inhibitors 建新公司 2016-11-09 CN disclosed