SCHEMBL29199272

SCHEMBL29199272

CC1CC2=C(O1)c1ccc(O)cc1C(=O)C2=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.59
MALT1 Q9UDY8 2/20 0.46
MAOA P21397 9/20 0.44
MAOB P27338 6/20 0.44
ESR2 Q92731 4/20 0.44
ESR1 P03372 3/20 0.44
UGT1A1 P22309 1/20 0.44
BRD4 O60885 1/20 0.43
CREBBP Q92793 1/20 0.43
IDO1 P14902 2/20 0.41
TTR P02766 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
YES1 P07947 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
CYP19A1 P11511 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38

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
SCHEMBL29135713 0.94 STAT3 (0.53) STAT3MALT1MAOAMAOBESR2
Lantalucratin C SCHEMBL3088799 0.81 MALT1 (0.42) STAT3MALT1MAOAMAOBESR2
SCHEMBL29199282 0.80 STAT3 (0.67) STAT3MALT1MAOBIDO1CYP19A1
SCHEMBL8043779 0.80 STAT3 (0.52) STAT3MALT1MAOAMAOBBRD4
SCHEMBL30662473 0.80 STAT3 (0.52) STAT3MALT1MAOAMAOBBRD4
SCHEMBL103969 0.80 STAT3 (0.52) STAT3MALT1MAOAMAOBBRD4
SCHEMBL29199273 0.75 STAT3 (1.00) STAT3MAOAMAOBBRD4CREBBP
SCHEMBL29135593 0.74 STAT3 (0.60) STAT3MALT1MAOBIDO1CYP19A1
SCHEMBL31177969 0.73 MAOA (0.54) STAT3MAOAMAOBIDO1
SCHEMBL1230608 0.73 MAOA (0.54) STAT3MAOAMAOBIDO1

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
CN-117942329-A Application of compound in preparation of medicine for treating and/or preventing cerebral apoplexy 中国药科大学 2024-04-30 CN disclosed