SCHEMBL7307111

SCHEMBL7307111

Cc1c(OCCCC(=O)O)ccc([N+](=O)[O-])c1C=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
ALDH1A1 P00352 11/20 0.43
KDM4E B2RXH2 6/20 0.43
KMT2A Q03164 3/20 0.42
HTT P42858 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 4/20 0.41
GAA P10253 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
Hydrochloric Acid SCHEMBL7312045 0.99 TSHR (0.43) TSHRALDH1A1KDM4EKMT2AHTT
SCHEMBL7312039 0.89 ALDH1A1 (0.39) ALDH1A1KDM4EKMT2AHTTTDP1
SCHEMBL7317201 0.88 MAPT (0.45) ALDH1A1KDM4EKMT2AHTTTDP1
SCHEMBL7312352 0.85 RAB9A (0.40) TSHRALDH1A1KDM4EKMT2AHTT
SCHEMBL7307134 0.85 FFAR1 (0.39) TSHRALDH1A1KDM4EKMT2AHTT
Hydrochloric Acid SCHEMBL7307724 0.84 FFAR1 (0.39) TSHRALDH1A1KDM4EKMT2AHTT
Hydrochloric Acid SCHEMBL7314696 0.84 RAB9A (0.39) TSHRALDH1A1KDM4EKMT2AHTT
SCHEMBL7308438 0.82 NPC1 (0.48) TSHRALDH1A1KDM4EKMT2AHTT
SCHEMBL7316510 0.81 ALDH1A1 (0.39) ALDH1A1KDM4EKMT2AHTTMAPT
Hydrochloric Acid SCHEMBL7306474 0.81 NPC1 (0.47) TSHRALDH1A1KDM4EKMT2AHTT

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