SCHEMBL9835884

SCHEMBL9835884

COc1ccc(C(C)Nc2ccc([N+](=O)[O-])cc2C(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.67
CTSL P07711 2/20 0.67
MAPT P10636 6/20 0.55
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
AKR1C3 P42330 4/20 0.52
AKR1C2 P52895 4/20 0.52
KMT2A Q03164 6/20 0.49
MEN1 O00255 4/20 0.49
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 3/20 0.49
NPC1 O15118 1/20 0.49
HSP90AA1 P07900 1/20 0.49
PKM P14618 1/20 0.49
PAX8 Q06710 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ANO1 Q5XXA6 1/20 0.47
ANO2 Q9NQ90 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL4214475 0.87 CRHBP (0.70) CTSVCTSLMAPTCRHBPCRHR2
SCHEMBL4205393 0.87 CRHBP (0.70) CTSVCTSLMAPTCRHBPCRHR2
SCHEMBL9834480 0.87 CRHBP (0.70) CTSVCTSLMAPTCRHBPCRHR2
SCHEMBL9837846 0.86 CTSV (0.56) CTSVCTSLMAPTCRHBPCRHR2
SCHEMBL9838079 0.86 MAPT (0.58) CTSVCTSLMAPTCRHBPCRHR2
SCHEMBL7331118 0.81 CTSV (1.00) CTSVCTSLMAPTAKR1C3AKR1C2
SCHEMBL9837317 0.81 ANO1 (0.57) CTSVCTSLMAPTCRHBPCRHR2
SCHEMBL22720146 0.80 CTSV (0.81) CTSVCTSLMAPTAKR1C3AKR1C2
SCHEMBL17434401 0.80 MAPT (0.70) CTSVCTSLMAPTAKR1C3AKR1C2
SCHEMBL15003946 0.76 ALDH1A1 (0.60) MAPTKMT2AMEN1SMN1; SMN2GAA

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
US-4994493-A Treatment of cerebral edema MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN (DE) 1991-02-19 US disclosed