SCHEMBL11397372

SCHEMBL11397372

CCOC(=O)CCNc1ccc(C(=O)OCC)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
GAA P10253 3/20 0.57
MAPT P10636 4/20 0.57
LMNA P02545 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
POLB P06746 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CASP3 P42574 1/20 0.56
TRPV1 Q8NER1 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
HPGD P15428 2/20 0.55
RECQL P46063 1/20 0.55
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
RAB9A P51151 6/20 0.53
NPC1 O15118 3/20 0.53
ALDH1A1 P00352 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CA12 O43570 1/20 0.53

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
SCHEMBL12317726 0.88 GAA (0.52) TSHRGAAMAPTLMNATDP1
SCHEMBL18158251 0.88 POLB (0.74) TSHRGAAMAPTPOLBMEN1
SCHEMBL381076 0.88 POLB (0.53) TSHRGAAMAPTLMNATDP1
SCHEMBL12317935 0.87 TSHR (0.59) TSHRGAAMAPTLMNATDP1
SCHEMBL3171431 0.86 POLB (0.51) TSHRGAAMAPTLMNATDP1
SCHEMBL9829525 0.85 MAPT (0.53) GAAMAPTLMNATDP1POLB
SCHEMBL13444627 0.85 LMNA (0.61) TSHRGAAMAPTLMNAPOLB
SCHEMBL7101006 0.85 MAPT (0.60) TSHRGAAMAPTLMNAPOLB
SCHEMBL9830217 0.84 MAPT (0.55) TSHRGAAMAPTLMNATDP1
SCHEMBL7338663 0.84 TSHR (0.65) TSHRGAAMAPTLMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4281018-A HYPOLIPIDEMIC AND ANTIATHEROSCLEROTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1981-07-28 US disclosed
US-4230628-A HYPOLIPIDEMIC AGENTS, ANTIATHEROSCLEROSIS AMERICAN CYANAMID COMPANY (US) 1980-10-28 US disclosed