SCHEMBL11133301

SCHEMBL11133301

COC(=O)CCc1ccc(C(O)CCCCCN)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGER2 P43116 5/20 0.45
▸ ADRB2 P07550 1/20 0.43
▸ ADRB1 P08588 1/20 0.43
▸ PTGER4 P35408 1/20 0.42
▸ PTGER3 P43115 1/20 0.42
▸ CPB2 Q96IY4 3/20 0.41
▸ PPARG P37231 1/20 0.39
▸ ITGB3 P05106 1/20 0.38
▸ ITGA2B P08514 1/20 0.38
▸ F2 P00734 2/20 0.38
▸ CYP4F2 P78329 1/20 0.38
▸ CYP4A11 Q02928 1/20 0.38
▸ PLG P00747 1/20 0.38
▸ PLAT P00750 1/20 0.38
▸ PRSS1 P07477 1/20 0.38

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
SCHEMBL11136070 0.99 ADRB2 (0.44) PTGER2ADRB2ADRB1PTGER4PTGER3
SCHEMBL11131896 0.87 CYP4F2 (0.54) CPB2PPARGF2CYP4F2CYP4A11
SCHEMBL11136082 0.86 CYP4F2 (0.46) PTGER2PTGER4PTGER3CYP4F2CYP4A11
SCHEMBL11131194 0.84 CYP4A11 (0.45) ADRB2ADRB1CYP4F2CYP4A11
SCHEMBL11137376 0.83 CPB2 (0.44) CPB2ITGB3ITGA2BF2
SCHEMBL11133594 0.83 CPB2 (0.50) CPB2ITGB3ITGA2BF2PLG
Hydrochloric Acid SCHEMBL9274562 0.83 ADRB2 (0.47) ADRB2ADRB1CYP4F2CYP4A11
SCHEMBL8421753 0.83 PTGER2 (0.47) PTGER2ADRB2ADRB1PTGER4PTGER3
SCHEMBL11134031 0.81 CPB2 (0.48) CPB2F2
SCHEMBL9453938 0.80 PTGER2 (0.63) PTGER2PTGER4PTGER3PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0044541-B1 AMINOCARBOXYLIC ACIDS, AMINO ALCOHOLS, OR THE DERIVATIVES THEREOF, PROCESSES FOR PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITION, CONTAINING AT LEAST ONE OF THESE COMPOUNDS TEIJIN LIMITED (JP) 1983-09-21 — — EP disclosed
US-4402975-A ANTIULCER AGENTS TEIJIN LIMITED (JP) 1983-09-06 — — US disclosed
EP-0044541-A1 Aminocarboxylic acids, amino alcohols, or the derivatives thereof, processes for production thereof, and pharmaceutical composition, containing at least one of these compounds TEIJIN LIMITED (JP) 1982-01-27 — — EP disclosed
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