SCHEMBL9254298

SCHEMBL9254298

O=C(O)c1cccc(-c2cccc(C(=O)O)c2[N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
HSP90AA1 P07900 1/20 0.49
HSD17B10 Q99714 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 7/20 0.46
ALOX15 P16050 2/20 0.46
HNF4A P41235 1/20 0.46
MAPT P10636 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MYC P01106 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
TDP1 Q9NUW8 3/20 0.43
GPR35 Q9HC97 1/20 0.42
LIG1 P18858 1/20 0.42
CYP3A4 P08684 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 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
SCHEMBL29574178 0.89 ALDH1A1 (0.50) TSHRHSP90AA1HSD17B10SMN1; SMN2ALDH1A1
SCHEMBL1497989 0.89 TSHR (0.60) TSHRHSP90AA1HSD17B10SMN1; SMN2ALDH1A1
SCHEMBL5738735 0.89 HNF4A (0.58) TSHRHSP90AA1HSD17B10SMN1; SMN2ALDH1A1
SCHEMBL30490414 0.87 TSHR (0.58) TSHRHSP90AA1SMN1; SMN2ALDH1A1ALOX15
SCHEMBL27771692 0.87 TSHR (0.58) TSHRHSP90AA1SMN1; SMN2ALDH1A1ALOX15
SCHEMBL28171346 0.87 TSHR (0.58) TSHRHSP90AA1SMN1; SMN2ALDH1A1ALOX15
Ethylene SCHEMBL29290025 0.85 TSHR (0.56) TSHRHSP90AA1SMN1; SMN2ALDH1A1ALOX15
SCHEMBL6672572 0.84 TSHR (0.57) TSHRSMN1; SMN2ALDH1A1MAPTL3MBTL1
SCHEMBL29120750 0.84 HNF4A (0.53) TSHRHSP90AA1SMN1; SMN2ALDH1A1ALOX15
SCHEMBL29574585 0.84 PKM (0.51) TSHRHSD17B10SMN1; SMN2ALDH1A1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0338808-B1 Alkyl salicylate resin for carbonless copy paper and imaging use SCHENECTADY INT INC (US) 1995-08-23 EP disclosed
US-5017546-A Metallized phenolic resins SCHENECTADY INTERNATIONAL, INC. 1991-05-21 US disclosed
EP-0338808-A2 Alkyl salicylate resin for carbonless copy paper and imaging use SCHENECTADY INTERNATIONAL, INC. (US) 1989-10-25 EP disclosed