SCHEMBL8828282

SCHEMBL8828282

O=C(O)C/C=C/c1ccc(-n2ccccc2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAM P19021 1/20 0.60
▸ MAOB P27338 4/20 0.41
▸ ALOX5 P09917 1/20 0.38
▸ HDAC1 Q13547 5/20 0.38
▸ HDAC8 Q9BY41 4/20 0.38
▸ HDAC6 Q9UBN7 4/20 0.38
▸ HDAC3 O15379 2/20 0.38
▸ HDAC4 P56524 2/20 0.38
▸ HDAC7 Q8WUI4 2/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ HDAC10 Q969S8 2/20 0.38
▸ HDAC11 Q96DB2 2/20 0.38
▸ HDAC9 Q9UKV0 2/20 0.38
▸ HDAC5 Q9UQL6 2/20 0.38
▸ F10 P00742 3/20 0.38
▸ PPARG P37231 1/20 0.36
▸ PLA2G4A P47712 1/20 0.35
▸ ITGB1 P05556 1/20 0.35
▸ ITGA4 P13612 1/20 0.35
▸ MAOA P21397 3/20 0.35

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
SCHEMBL8828286 1.00 PAM (0.60) PAMMAOBALOX5HDAC1HDAC8
SCHEMBL8828314 0.81 PAM (0.62) PAMMAOBALOX5
SCHEMBL8828308 0.81 PAM (0.62) PAMMAOBALOX5
SCHEMBL6646360 0.80 HDAC2 (0.56) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL6646363 0.80 HDAC2 (0.56) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL2148302 0.77 PAM (1.00) PAMMAOBHDAC1HDAC8HDAC6
SCHEMBL156767 0.77 PAM (1.00) PAMMAOBHDAC1HDAC8HDAC6
SCHEMBL582727 0.77 PAM (1.00) PAMMAOBHDAC1HDAC8HDAC6
SCHEMBL9158841 0.76 PAM (0.54) PAMMAOBALOX5HDAC1HDAC8
SCHEMBL9158830 0.76 PAM (0.54) PAMMAOBALOX5HDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5607953-A ANTIISCHEMIC AGENTS EISAI CO., LTD. (JP) 1997-03-04 — — US disclosed
EP-0344577-B1 Butenoic or propenoic acid derivatives EISAI CO LTD (JP) 1996-10-09 — — EP disclosed
US-5382595-A Antiischemic agents EISAI CO., LTD. (JP) 1995-01-17 — — US disclosed
US-5177089-A Antiischemic agent, vasodilator EISAI CO., LTD. (JP) 1993-01-05 — — US disclosed
EP-0344577-A2 Butenoic or propenoic acid derivatives Eisai Co., Ltd. (JP) 1989-12-06 — — EP disclosed
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