SCHEMBL7316795

SCHEMBL7316795

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
PPARA Q07869 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
PPARG P37231 1/20 0.37
MAPT P10636 5/20 0.36
SMN1; SMN2 Q16637 3/20 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
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 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 SCHEMBL7311714 0.99 RAB9A (0.39) RAB9APPARAPTGDR2FFAR4CYSLTR2
SCHEMBL7320935 0.99 RAB9A (0.39) RAB9APPARAPTGDR2FFAR4CYSLTR2
Hydrochloric Acid SCHEMBL7310519 0.98 RAB9A (0.38) RAB9APPARAPTGDR2FFAR4CYSLTR2
SCHEMBL7309608 0.96 RAB9A (0.43) RAB9APTGDR2FFAR4PPARGMAPT
Hydrochloric Acid SCHEMBL7306304 0.95 RAB9A (0.42) RAB9APTGDR2FFAR4PPARGMAPT
SCHEMBL7311708 0.90 RAB9A (0.37) RAB9AMAPTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL7310516 0.89 RAB9A (0.37) RAB9ACYSLTR2CYSLTR1MAPTSMN1; SMN2
SCHEMBL7306297 0.86 RAB9A (0.38) RAB9AMAPTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL7312409 0.85 TSHR (0.46) PPARACYSLTR2CYSLTR1MAPTALDH1A1
SCHEMBL7318640 0.85 L3MBTL1 (0.38) RAB9AMAPTSMN1; SMN2ALDH1A1KMT2A

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