SCHEMBL7204425

SCHEMBL7204425

COC(=O)C=Cc1ccc(C)cc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.50
ALDH1A1 P00352 7/20 0.49
MAPT P10636 4/20 0.49
RAB9A P51151 2/20 0.49
ATM Q13315 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
AR P10275 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL7204421 1.00 PTGS2 (0.50) PTGS2ALDH1A1MAPTRAB9AATM
SCHEMBL6169997 0.89 BACE1 (0.54) ALDH1A1MAPTRAB9AATMMEN1
SCHEMBL6170004 0.89 BACE1 (0.54) ALDH1A1MAPTRAB9AATMMEN1
SCHEMBL2536459 0.86 STAT3 (0.54) PTGS2ALDH1A1MAPTRAB9AATM
SCHEMBL2536457 0.86 STAT3 (0.54) PTGS2ALDH1A1MAPTRAB9AATM
SCHEMBL4019893 0.86 ALDH1A1 (0.50) PTGS2ALDH1A1MAPTRAB9AMEN1
SCHEMBL11938125 0.86 ALDH1A1 (0.50) PTGS2ALDH1A1MAPTRAB9AMEN1
SCHEMBL13145899 0.86 ALDH1A1 (0.60) PTGS2ALDH1A1MAPTMEN1KMT2A
SCHEMBL706409 0.84 MAPT (0.56) PTGS2ALDH1A1MAPTRAB9AATM
SCHEMBL6170382 0.84 PTGS2 (0.49) PTGS2ALDH1A1MAPTRAB9AMEN1

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
US-6608070-B1 Useful for treatment of medical condition in which prostaglandins are implicated as pathogens NAKAO KAZUNARI (JP) 2003-08-19 US disclosed
EP-1065206-B1 Tetrazolylalkyl indole compounds as anti-inflammatory and analgesic agents PFIZER (US) 2002-10-09 EP disclosed
EP-1065206-A1 Tetrazolylalkyl indole compounds as anti-inflammatory and analgesic agents PFIZER INC. (US) 2001-01-03 EP disclosed