SCHEMBL11819643

SCHEMBL11819643

CC(C)N(Cc1ccccc1)CC(O)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
CTSV O60911 4/20 0.45
CTSL P07711 4/20 0.45
ABCB1 P08183 1/20 0.45
ALDH1A1 P00352 1/20 0.43
FFAR1 O14842 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
PDCD1 Q15116 4/20 0.40
CD274 Q9NZQ7 4/20 0.40
CYP19A1 P11511 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MYC P01106 1/20 0.39
MAX P61244 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
SCHEMBL7039598 0.90 CTSV (0.43) POLBCTSVCTSLABCB1FFAR1
SCHEMBL11820298 0.88 CTSV (0.41) POLBCTSVCTSLABCB1FFAR1
SCHEMBL7039806 0.88 MAPT (0.44) POLBCTSVCTSLABCB1FFAR1
SCHEMBL7253387 0.87 CTSV (0.43) POLBCTSVCTSLABCB1ALDH1A1
SCHEMBL11812979 0.87 NPC1 (0.41) POLBCTSVCTSLABCB1ALDH1A1
SCHEMBL7039596 0.86 CTSV (0.43) POLBCTSVCTSLABCB1FFAR1
SCHEMBL7042821 0.86 FFAR1 (0.43) POLBCTSVCTSLABCB1FFAR1
SCHEMBL1134236 0.86 KMT2A (0.42) POLBCTSVCTSLABCB1ALDH1A1
SCHEMBL29368044 0.86 KMT2A (0.42) POLBCTSVCTSLABCB1ALDH1A1
SCHEMBL13074414 0.86 KMT2A (0.42) POLBCTSVCTSLABCB1ALDH1A1

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-3994974-A BRONCHODILATORS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1976-11-30 US disclosed