SCHEMBL7312273

SCHEMBL7312273

Cc1cc(CCCCCCC(=O)Cl)cc([N+](=O)[O-])c1C=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
FAAH O00519 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 5/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 3/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 2/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL7313534 0.89 MAPT (0.40) NPC1RAB9AFAAHMAPTKMT2A
Hydrochloric Acid SCHEMBL7312278 0.88 MAPT (0.39) NPC1RAB9AFAAHMAPTKMT2A
SCHEMBL7319206 0.85 MAPT (0.43) MAPTALDH1A1HPGDTSHRKMT2A
SCHEMBL7311614 0.80 MAPT (0.41) NPC1RAB9AMAPTALDH1A1HPGD
SCHEMBL7317402 0.78 MAPT (0.39) NPC1RAB9AMAPTALDH1A1GAA
SCHEMBL7315717 0.78 ACLY (0.38) NPC1RAB9AMAPTALDH1A1KMT2A
SCHEMBL7320700 0.78 CDK1 (0.44) NPC1RAB9AFAAHMAPTALDH1A1
SCHEMBL7317499 0.76 ALDH1A1 (0.35) NPC1RAB9AFAAHALDH1A1TSHR
SCHEMBL7313318 0.73 ERN1 (0.39) NPC1RAB9AFAAHMAPTALDH1A1
SCHEMBL7311366 0.72 ACLY (0.38) NPC1RAB9AFAAHALDH1A1KMT2A

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