SCHEMBL7320935

SCHEMBL7320935

O=Cc1c(OCCCCCC(=O)O)ccc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.39
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
PPARA Q07869 2/20 0.37
FFAR4 Q5NUL3 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
LTB4R Q15722 1/20 0.37
PPARG P37231 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 4/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
NPC1 O15118 1/20 0.36

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 SCHEMBL7310519 0.99 RAB9A (0.38) RAB9ACYSLTR2CYSLTR1PPARAFFAR4
SCHEMBL7316795 0.99 RAB9A (0.40) RAB9ACYSLTR2CYSLTR1PPARAFFAR4
Hydrochloric Acid SCHEMBL7311714 0.98 RAB9A (0.39) RAB9ACYSLTR2CYSLTR1PPARAFFAR4
SCHEMBL7309608 0.95 RAB9A (0.43) RAB9AFFAR4PTGDR2PPARGPOLB
Hydrochloric Acid SCHEMBL7306304 0.94 RAB9A (0.42) RAB9AFFAR4PTGDR2PPARGPOLB
SCHEMBL7310516 0.91 RAB9A (0.37) RAB9ACYSLTR2CYSLTR1POLBMAPT
SCHEMBL7311708 0.89 RAB9A (0.37) RAB9APOLBMAPTCYP1A2CYP3A4
SCHEMBL7307366 0.85 L3MBTL1 (0.40) RAB9APOLBMAPTCYP3A4SMN1; SMN2
SCHEMBL7306297 0.85 RAB9A (0.38) RAB9APOLBMAPTCYP1A2CYP3A4
SCHEMBL7312409 0.84 TSHR (0.46) CYSLTR2CYSLTR1PPARAMAPTALDH1A1

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