SCHEMBL8722124

SCHEMBL8722124

COc1cc(Oc2c(C)cc(C(=O)O)cc2C)ccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
TPMT P51580 1/20 0.48
MAPT P10636 6/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
HPGD P15428 3/20 0.46
TTR P02766 1/20 0.46
ALDH1A1 P00352 4/20 0.44
GAA P10253 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
CASP6 P55212 1/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41
AKR1C4 P17516 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
SCHEMBL8728027 0.84 SRD5A2 (0.54) TSHRTPMTMAPTKMT2AMEN1
SCHEMBL10817393 0.79 ALDH1A1 (0.56) MAPTKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL8726219 0.79 MEN1 (0.68) TSHRMAPTKMT2AMEN1ALDH1A1
SCHEMBL223878 0.78 TTR (0.64) TSHRTPMTMAPTKMT2AMEN1
SCHEMBL29753668 0.78 TTR (0.64) TSHRTPMTMAPTKMT2AMEN1
SCHEMBL10756062 0.77 TPMT (0.72) TSHRTPMTMAPTKMT2AMEN1
SCHEMBL4690580 0.76 MEN1 (0.49) TSHRMAPTKMT2AMEN1ALDH1A1
SCHEMBL31118326 0.76 ALDH1A1 (0.47) MAPTKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL8184777 0.76 TPMT (0.62) TSHRTPMTMAPTKMT2AMEN1
SCHEMBL16792372 0.76 ALDH1A1 (0.57) MAPTKMT2AMEN1TTRALDH1A1

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-1998035982-A1 COMPOUNDS FOR USE IN ADEPT ZENECA LIMITED (GB) 1998-08-20 WO disclosed