SCHEMBL10487311

SCHEMBL10487311

COc1ccccc1C(=O)/C=C/C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 2/20 0.68
▸ GPR52 Q9Y2T5 1/20 0.61
▸ ABCB1 P08183 1/20 0.57
▸ LMNA P02545 2/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ MAOB P27338 2/20 0.55
▸ AR P10275 2/20 0.54
▸ NPC1 O15118 4/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ CTSD P07339 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ NR1H4 Q96RI1 1/20 0.49
▸ BCHE P06276 1/20 0.49

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
SCHEMBL10487313 1.00 ABCG2 (0.68) ABCG2GPR52ABCB1LMNASMN1; SMN2
SCHEMBL31167606 0.93 ABCG2 (0.77) ABCG2GPR52ABCB1MAOBAR
Fumaric Acid SCHEMBL28398991 0.87 HTT (0.66) ABCG2GPR52LMNASMN1; SMN2NPC1
SCHEMBL4254947 0.83 ABCG2 (0.90) ABCG2GPR52ABCB1MAOBAR
SCHEMBL4933303 0.83 KDM4E (0.64) ABCG2GPR52LMNASMN1; SMN2MAOB
SCHEMBL4254944 0.83 ABCG2 (0.90) ABCG2GPR52ABCB1MAOBAR
SCHEMBL4933294 0.83 KDM4E (0.64) ABCG2GPR52LMNASMN1; SMN2MAOB
SCHEMBL11161444 0.82 ABCG2 (0.68) ABCG2GPR52ABCB1MAOBAR
SCHEMBL14124754 0.80 CDC25B (0.57) ABCB1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL21678774 0.80 SMN1; SMN2 (0.50) ABCG2GPR52LMNASMN1; SMN2NPC1

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-4867737-A ANTIULCER,-SECRETORY AND -INFLAMMATION AGENTS; GASTROINTESTINAL DISORDERS ROUSSEL UCLAF (FR) 1989-09-19 — — US claimed
US-4867737-A ANTIULCER,-SECRETORY AND -INFLAMMATION AGENTS; GASTROINTESTINAL DISORDERS ROUSSEL UCLAF (FR) 1989-09-19 — — US disclosed
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