SCHEMBL8875765

SCHEMBL8875765

COc1cccc(C[C@@H](N)C(=O)O)c1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
PTPRA P18433 1/20 0.46
CYP2C19 P33261 1/20 0.44
SLC1A5 Q15758 1/20 0.43
LMNA P02545 4/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.41
AGTR2 P50052 1/20 0.41
PKM P14618 1/20 0.41
SERPINE1 P05121 2/20 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
SCHEMBL8875770 1.00 ALDH1A1 (0.48) ALDH1A1PTPRACYP2C19SLC1A5LMNA
SCHEMBL8875762 1.00 ALDH1A1 (0.48) ALDH1A1PTPRACYP2C19SLC1A5LMNA
SCHEMBL9270543 0.83 L3MBTL1 (0.50) ALDH1A1LMNAMEN1KMT2A
SCHEMBL9270545 0.83 L3MBTL1 (0.50) ALDH1A1LMNAMEN1KMT2A
SCHEMBL8964199 0.81 ALDH1A1 (0.53) ALDH1A1CYP2C19LMNAMAPTMEN1
SCHEMBL7375715 0.80 ALDH1A1 (0.50) ALDH1A1MEN1KMT2APKM
SCHEMBL30013379 0.80 ALDH1A1 (0.50) ALDH1A1MEN1KMT2APKM
SCHEMBL29785614 0.80 ALDH1A1 (0.50) ALDH1A1MEN1KMT2APKM
SCHEMBL7885274 0.80 ALDH1A1 (0.50) ALDH1A1MEN1KMT2APKM
SCHEMBL8874631 0.80 AGTR2 (0.47) ALDH1A1LMNAMAPTMEN1KMT2A

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-5658943-A VASODILATOR FOR CARDIOVASCULAR DISORDER, HYPOTENSIVE AGENT WARNER-LAMBERT COMPANY (US) 1997-08-19 US disclosed