SCHEMBL8955498

SCHEMBL8955498

O=[N+]([O-])c1ccc(OCCCCCCCCO)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 4/20 0.57
MAPT P10636 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TTR P02766 2/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.49
TSHR P16473 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 4/20 0.48
HSPB1 P04792 3/20 0.47
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
GPR35 Q9HC97 1/20 0.46
CYP1A2 P05177 1/20 0.45

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
SCHEMBL17104506 0.98 PRSS1 (0.56) PRSS1MAPTMEN1KMT2ATTR
SCHEMBL29664575 0.98 PRSS1 (0.56) PRSS1MAPTMEN1KMT2ATTR
SCHEMBL6651358 0.94 PRSS1 (0.54) PRSS1MAPTMEN1KMT2ATTR
SCHEMBL29695817 0.89 TSHR (0.59) PRSS1MAPTMEN1KMT2ATTR
SCHEMBL4101417 0.89 TSHR (0.59) PRSS1MAPTMEN1KMT2ATTR
SCHEMBL8955606 0.88 TSHR (0.52) PRSS1TSHRTDP1ALDH1A1MAPK1
SCHEMBL30292262 0.88 TSHR (0.55) PRSS1MAPTKMT2ALMNATSHR
SCHEMBL11221739 0.88 MAPT (0.56) PRSS1MAPTMEN1KMT2AKDM4E
SCHEMBL7907585 0.86 NPC1 (0.59) PRSS1MAPTMEN1KMT2ATTR
SCHEMBL8372523 0.85 PRSS1 (0.57) PRSS1MAPTMEN1KMT2ATTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516767-A PRODRUG AS HYPOGLYCEMIC AGENT SANDOZ LTD. (CH) 1996-05-14 US disclosed
US-5412137-A Hypoglycemic agents SANDOZ LTD. (CH) 1995-05-02 US disclosed