SCHEMBL7308201

SCHEMBL7308201

CN(CCCCC1CCCC1)C(=O)CCCOc1cc([N+](=O)[O-])c(C=O)cc1F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.39
HPGD P15428 4/20 0.38
SCN9A Q15858 6/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
PRKDC P78527 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PPARG P37231 1/20 0.33

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
SCHEMBL7315888 0.86 TDP1 (0.38) TDP1HPGDSCN9ABCHEACHE
SCHEMBL10376743 0.85 HPGD (0.47) TDP1HPGDBCHEACHEMEN1
SCHEMBL7315237 0.80 SIGMAR1 (0.39) HPGDSCN9AMEN1KMT2ANPC1
SCHEMBL7308198 0.78 ALDH1A1 (0.34) KDM4EALDH1A1CYP3A4MAPTALOX15
SCHEMBL7317175 0.75 ALDH1A1 (0.47) TDP1HPGDKMT2ANPC1SMN1; SMN2
SCHEMBL7317136 0.74 ALDH1A1 (0.45) TDP1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL10375971 0.74 HPGD (0.44) HPGDMEN1KMT2AKDM4EALDH1A1
SCHEMBL7312076 0.74 THRB (0.45) HPGDBCHEACHEMEN1KMT2A
SCHEMBL7319139 0.74 ALDH1A1 (0.46) TDP1HPGDMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL7319148 0.74 ALDH1A1 (0.46) TDP1HPGDKMT2ANPC1SMN1; SMN2

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
US-4670434-A ANTICOAGULANT, INOTROPIC AGENT SYNTEX (U.S.A.) INC. (US) 1987-06-02 US disclosed