SCHEMBL11581256

SCHEMBL11581256

O=C(N[C@H](CO)Cc1ccc(O)cc1)c1ccccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 1/20 0.57
▸ ITGB1 P05556 7/20 0.53
▸ ITGA4 P13612 7/20 0.53
▸ ITGB7 P26010 6/20 0.53
▸ POLB P06746 1/20 0.49
▸ SMO Q99835 1/20 0.48
▸ ROCK2 O75116 3/20 0.45
▸ PRKACA P17612 3/20 0.45
▸ PRKX P51817 3/20 0.45
▸ ROCK1 Q13464 3/20 0.45
▸ PRKG1 Q13976 3/20 0.45
▸ CLK4 Q9HAZ1 3/20 0.45
▸ IRAK1 P51617 2/20 0.45
▸ PKN2 Q16513 2/20 0.45
▸ LIMK1 P53667 2/20 0.45
▸ RPS6KB1 P23443 1/20 0.45
▸ PRKG2 Q13237 1/20 0.45
▸ HIPK4 Q8NE63 1/20 0.45
▸ AURKB Q96GD4 1/20 0.45
▸ CSNK1G1 Q9HCP0 1/20 0.45

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
SCHEMBL11581254 1.00 GFER (0.57) GFERITGB1ITGA4ITGB7POLB
SCHEMBL4366677 0.88 ITGB1 (0.56) GFERITGB1ITGA4ITGB7MAPK1
SCHEMBL24862961 0.82 GFER (0.58) GFERITGB1ITGA4ITGB7POLB
SCHEMBL11582242 0.81 ROCK2 (0.54) POLBROCK2ROCK1NPC1ALDH1A1
SCHEMBL11582240 0.81 ROCK2 (0.54) POLBROCK2ROCK1NPC1ALDH1A1
SCHEMBL4366748 0.81 CYP3A4 (0.54) ITGB1ITGA4ITGB7SMONPC1
SCHEMBL24862886 0.80 CAPN1 (0.57) GFERITGB1ITGA4ITGB7POLB
SCHEMBL11582078 0.78 ROCK2 (0.70) GFERPOLBROCK2PRKACAPRKX
SCHEMBL11582081 0.78 ROCK2 (0.70) GFERPOLBROCK2PRKACAPRKX
SCHEMBL14005607 0.77 MAPK1 (0.56) ROCK2PRKACAPRKXROCK1PRKG1

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
US-4097608-A Anti-ulcerous tyrosine derivatives DAIICHI SEIYAKU CO., LTD. (JA) 1978-06-27 — — US disclosed
US-4057629-A ANTIULCER DAIICHI SEIYAKU CO., LTD. (JA) 1977-11-08 — — US disclosed
US-4025644-A ANTIULCER DAIICHI SEIYAKU CO., LTD. (JA) 1977-05-24 — — US disclosed
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