SCHEMBL4817673

SCHEMBL4817673

CCOC(=O)c1c(C)[nH]c(C=O)c1-c1ccccc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.56
LMNA P02545 5/20 0.56
MAPT P10636 5/20 0.56
RAB9A P51151 4/20 0.56
NPC1 O15118 4/20 0.56
HTT P42858 3/20 0.56
TDP2 O95551 1/20 0.56
NSD2 O96028 1/20 0.56
THRB P10828 1/20 0.56
XBP1 P17861 1/20 0.56
GALK1 P51570 1/20 0.56
BLM P54132 1/20 0.56
PAX8 Q06710 1/20 0.56
ATM Q13315 1/20 0.56
ALDH1A1 P00352 6/20 0.53
ALOX5 P09917 3/20 0.50
PTGES O14684 1/20 0.50
ABL1 P00519 1/20 0.48
RET P07949 1/20 0.48
PDGFRB P09619 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
SCHEMBL4750921 0.85 ALDH1A1 (0.54) SMN1; SMN2LMNAMAPTRAB9AHTT
SCHEMBL4460442 0.81 ALDH1A1 (0.75) SMN1; SMN2LMNAMAPTRAB9ANPC1
SCHEMBL4789095 0.77 KDR (0.54) SMN1; SMN2LMNAHTTALDH1A1ABL1
SCHEMBL16851058 0.76 SMN1; SMN2 (0.63) SMN1; SMN2LMNAMAPTRAB9ANPC1
SCHEMBL4816787 0.74 SMN1; SMN2 (0.53) SMN1; SMN2LMNAMAPTRAB9ANPC1
SCHEMBL4202642 0.71 IGF1R (0.53) LMNARAB9AALDH1A1ALOX5PTGES
SCHEMBL1627475 0.71 ALDH1A1 (0.66) SMN1; SMN2LMNAMAPTRAB9ANPC1
SCHEMBL2659216 0.71 TSHR (0.49) SMN1; SMN2LMNAMAPTRAB9ANPC1
SCHEMBL16814463 0.71 MAP3K5 (0.54) SMN1; SMN2LMNAMAPTRAB9ANPC1
SCHEMBL10455857 0.70 CA12 (0.63) SMN1; SMN2LMNAMAPTALDH1A1KDM4E

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
WO-2008145398-A1 4-ARYLPYRROLE SUBSTITUTED 2-INDOLINE DERIVATIVES ACTIVE AS PROTEIN KINASE INHIBITORS PFIZER ITALIA S.R.L. (IT) 2008-12-04 WO disclosed