SCHEMBL10711638

SCHEMBL10711638

COc1cccc(CCC(=O)O)c1I

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.49
▸ OPRK1 P41145 6/20 0.47
▸ POLB P06746 2/20 0.45
▸ FFAR1 O14842 1/20 0.45
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ PPARA Q07869 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PTGER1 P34995 2/20 0.42
▸ PTGER4 P35408 2/20 0.42
▸ PTGER3 P43115 2/20 0.42
▸ PTGER2 P43116 2/20 0.42
▸ MTNR1A P48039 1/20 0.42
▸ MTNR1B P49286 1/20 0.42

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
SCHEMBL362209 0.83 LMNA (0.59) LMNAPOLBFFAR1NPSR1SMN1; SMN2
SCHEMBL29590071 0.83 LMNA (0.59) LMNAPOLBFFAR1NPSR1SMN1; SMN2
SCHEMBL490691 0.82 CTSG (0.56) LMNACA12CA1CA2CA14
SCHEMBL3954801 0.82 LMNA (0.50) LMNAPOLBFFAR1CA12CA1
SCHEMBL3691207 0.82 ALOX5 (0.59) LMNAPOLBFFAR1CA12CA1
Hydrochloric Acid SCHEMBL7413528 0.81 LMNA (0.57) LMNAPOLBFFAR1NPSR1SMN1; SMN2
SCHEMBL2397158 0.81 LMNA (0.49) LMNAPOLBFFAR1CA12CA1
SCHEMBL17743971 0.81 POLB (0.49) LMNAPOLBFFAR1CA12CA1
SCHEMBL7885276 0.81 CTSG (0.55) LMNACA12CA1CA2CA14
SCHEMBL26046334 0.79 LMNA (0.47) LMNAPOLBFFAR1CA12CA1

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
EP-0155079-B1 ACETYLENE AMINES AND THEIR USE AS VASODILATORS AND ANTIHYPERTENSIVES McNeilab, Inc. (US) 1988-02-17 — — EP disclosed
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