SCHEMBL7610770

SCHEMBL7610770

COc1ccc(-c2ccc(Oc3ccc(-c4ccc(OC)cc4)cc3)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.67
CA1 P00915 2/20 0.65
CA2 P00918 2/20 0.65
CA7 P43166 2/20 0.65
CA9 Q16790 2/20 0.65
CA12 O43570 1/20 0.65
CA14 Q9ULX7 1/20 0.65
ESR2 Q92731 1/20 0.64
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
KMT2A Q03164 1/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
MAPK1 P28482 2/20 0.56
TP53 P04637 1/20 0.56
CASP3 P42574 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56

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
SCHEMBL13038584 1.00 LTA4H (0.67) LTA4HCA1CA2CA7CA9
SCHEMBL11580995 0.91 CA1 (0.79) LTA4HCA1CA2CA7CA9
SCHEMBL9151672 0.91 CA1 (0.79) CA1CA2CA7CA9CA12
SCHEMBL83811 0.91 CA1 (0.79) LTA4HCA1CA2CA7CA9
SCHEMBL197522 0.91 CA1 (0.79) CA1CA2CA7CA9CA12
SCHEMBL166536 0.91 CA1 (0.79) LTA4HCA1CA2CA7CA9
SCHEMBL6733562 0.91 CA1 (0.79) CA1CA2CA7CA9CA12
SCHEMBL10044180 0.90 ACHE (0.71) LTA4HCA1CA2CA7CA9
SCHEMBL12770835 0.90 ACHE (0.71) LTA4HCA1CA2CA7CA9
SCHEMBL12334794 0.90 ACHE (0.71) LTA4HCA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0812868-B1 Biodegradable elastomer and preparation process of same MITSUI CHEMICALS INC (JP) 2002-11-06 EP disclosed
US-6001891-A MADE BY CROSSLINKING A HIGH MOLECULAR WEIGHT ALIPHATIC POLYESTER CONTAINING AN ALIPHATIC SATURATED POLYBASIC ACID AND ALIPHATIC UNSATURATED POLYBASIC ACID; RUBBER-LIKE ELASTICITY, HARDNESS OF 80 OR LESS BY ASTM D676-58T MITSUI CHEMICALS, INC. (JP) 1999-12-14 US disclosed
EP-0812868-A1 Biodegradable elastomer and preparation process of same MITSUI TOATSU CHEMICALS, Inc. (JP) 1997-12-17 EP disclosed
EP-0617277-A1 Ion-selective electrode and process for preparing the same HITACHI, LTD. (JP) 1994-09-28 EP disclosed