SCHEMBL14540258

SCHEMBL14540258

CC1(C)CC(NC(=O)OCc2cccc([N+](=O)[O-])c2)CC(C)(CNC(=O)OCc2cccc([N+](=O)[O-])c2)C1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
RAB9A P51151 1/20 0.45
KMT2A Q03164 3/20 0.44
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
PDE1C Q14123 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 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
SCHEMBL14540369 0.85 TSHR (0.55) TSHRKMT2AMEN1ALDH1A1GAA
SCHEMBL17864855 0.85 TSHR (0.62) TSHRKMT2ALMNAMEN1ALDH1A1
SCHEMBL19450631 0.81 TSHR (0.53) TSHRRAB9AKMT2AMAPTLMNA
SCHEMBL14540330 0.80 TSHR (0.49) TSHRMAPTPKMALDH1A1HTT
SCHEMBL17346783 0.79 TSHR (0.55) TSHRKMT2AMAPTLMNAMEN1
SCHEMBL18374391 0.79 TSHR (0.47) TSHRKMT2AMAPTLMNAALDH1A1
SCHEMBL17346794 0.78 TSHR (0.61) TSHRKMT2AMAPTLMNAMEN1
SCHEMBL17552038 0.77 TSHR (0.59) TSHRALDH1A1GAA
SCHEMBL17346755 0.76 TSHR (0.58) TSHRALDH1A1GAA
SCHEMBL17346785 0.75 TSHR (0.64) TSHRMAPTALDH1A1GAA

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
EP-0969063-B1 Adhesive compositions for use in package encapsulant compositions for electronic devices NAT STARCH CHEM INVEST (US) 2007-04-11 EP disclosed