SCHEMBL8558625

SCHEMBL8558625

CCCc1[nH]c2cc(C(=O)O)cc(Cc3ccccc3[N+](=O)[O-])c2c1C(=O)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HCAR3 P49019 4/20 0.37
POLB P06746 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
FBP1 P09467 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL8553623 0.77 ALDH1A1 (0.44) MEN1KMT2APOLBCYP2C19GAA
SCHEMBL8555053 0.74 PPARG (0.32) MEN1KMT2AMAPTALDH1A1
SCHEMBL251645 0.74 ALOX5 (0.43) MAPTALDH1A1
SCHEMBL7707708 0.74 KMT2A (0.41) MEN1KMT2ACYP2C19MAPTALDH1A1
SCHEMBL8558633 0.71 ALOX5 (0.40) POLBMAPTALDH1A1
SCHEMBL7424550 0.71 ALOX5 (0.39) MEN1KMT2AGAAALDH1A1
Hydrochloric Acid SCHEMBL8627726 0.71 ALOX5 (0.40) POLBMAPTALDH1A1
SCHEMBL7422734 0.70 KDM4E (0.44) MEN1KMT2AGAAALDH1A1
SCHEMBL7710517 0.69 PPARG (0.38) MEN1KMT2A
SCHEMBL7424622 0.67 AGTR1 (0.51) HCAR3ALDH1A1

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
EP-0927151-A1 REDUCED ODOR AND HIGH STABILITY AIRCRAFT TURBINE OIL BASE STOCK EXXON CHEMICAL PATENTS INC. (US) 1999-07-07 EP disclosed
WO-1998008801-A1 REDUCED ODOR AND HIGH STABILITY AIRCRAFT TURBINE OIL BASE STOCK EXXON CHEMICAL PATENTS INC. (US) 1998-03-05 WO disclosed