SCHEMBL7406239

SCHEMBL7406239

CCCCC(=O)Cc1cccc(OC)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.45
▸ PPARA Q07869 1/20 0.44
▸ ALOX5 P09917 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.41
▸ IAPP P10997 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MAPT P10636 1/20 0.39

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
Ethylene SCHEMBL7406931 0.84 HPGD (0.46) HPGDCYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL7407879 0.84 SMN1; SMN2 (0.44) HPGDCYP1A2CYP3A4CYP2C19TRPV1
Ethylene SCHEMBL7411102 0.82 SMN1; SMN2 (0.43) HPGDCYP1A2CYP3A4CYP2C19TRPV1
SCHEMBL13905046 0.80 HPGD (0.50) HPGDCYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL7412813 0.79 TRPV1 (0.45) HPGDCYP3A4CYP2C19TRPV1ALDH1A1
SCHEMBL8151785 0.79 HPGD (0.52) HPGDCYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL8217655 0.78 ALDH1A1 (0.52) HPGDALOX5PTGS2CYP1A2CYP3A4
SCHEMBL29273227 0.78 PPARA (0.58) HPGDPPARAALOX5PTGS2ALDH1A1
SCHEMBL17315857 0.77 CYP3A4 (0.58) HPGDPPARAALOX5PTGS2CYP1A2
Ethylene SCHEMBL7414666 0.77 TRPV1 (0.43) HPGDCYP3A4CYP2C19TRPV1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0640080-A1 SUBSTITUTED INDOLES AND AZAINDOLES AS ANGIOTENSIN II ANTAGONISTS. SYNTEX INC (US) 1995-03-01 — — EP disclosed
US-5380739-A Angiotensin II antagonists SYNTEX (U.S.A.) INC. (US) 1995-01-10 — — US disclosed
WO-1993023391-A1 SUBSTITUTED INDOLES AND AZAINDOLES AS ANGIOTENSIN II ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1993-11-25 — — WO disclosed
US-5212195-A Substituted indole antagonists derivatives which are angiotensin II SYNTEX (U.S.A.) INC. (US) 1993-05-18 — — US disclosed
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