SCHEMBL11580209

SCHEMBL11580209

COc1cc(C(=O)NC(CO)Cc2ccc(O)cc2)cc(OC)c1OC

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.52
▸ ROCK2 O75116 2/20 0.50
▸ ROCK1 Q13464 2/20 0.50
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ PCNA P12004 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ TUBB1 Q9H4B7 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.45
▸ TAS1R3 Q7RTX0 1/20 0.45
▸ TAS1R1 Q7RTX1 1/20 0.45
▸ ALOX12 P18054 1/20 0.44

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
SCHEMBL11580214 1.00 MAPK1 (0.52) MAPK1ROCK2ROCK1KMT2AMEN1
SCHEMBL11580758 0.81 TAS1R3 (0.57) MAPK1ROCK2ROCK1KMT2AMEN1
SCHEMBL11582843 0.81 TAS1R3 (0.57) MAPK1ROCK2ROCK1KMT2AMEN1
SCHEMBL10949279 0.79 ALDH1A1 (0.69) MAPK1KMT2AMEN1ALDH1A1LMNA
SCHEMBL11582240 0.79 ROCK2 (0.54) ROCK2ROCK1ALDH1A1LMNATAS1R3
SCHEMBL11582242 0.79 ROCK2 (0.54) ROCK2ROCK1ALDH1A1LMNATAS1R3
SCHEMBL11758942 0.77 PCNA (0.47) ROCK2ROCK1PCNALMNA
SCHEMBL11758950 0.77 PCNA (0.47) ROCK2ROCK1PCNALMNA
SCHEMBL11581511 0.75 PCNA (0.49) KMT2AMEN1PCNAALDH1A1LMNA
SCHEMBL11581516 0.75 PCNA (0.49) KMT2AMEN1PCNAALDH1A1LMNA

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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