SCHEMBL9401790

SCHEMBL9401790

COC(=O)/C(=C\c1cccc2ccccc12)C(C)=O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.56
▸ MTNR1A P48039 2/20 0.50
▸ MTNR1B P49286 2/20 0.50
▸ MAPT P10636 3/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ F2 P00734 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ BACE1 P56817 1/20 0.40
▸ GCGR P47871 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39

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
SCHEMBL9401795 1.00 KDM4E (0.56) KDM4EMTNR1AMTNR1BMAPTNPSR1
SCHEMBL15913822 0.92 MAPT (0.56) KDM4EMTNR1AMTNR1BMAPTNPSR1
SCHEMBL29489353 0.92 MAPT (0.56) KDM4EMTNR1AMTNR1BMAPTNPSR1
SCHEMBL3826539 0.84 KDM4E (0.55) KDM4EMTNR1AMTNR1BMAPTNPSR1
SCHEMBL10854687 0.84 MEN1 (0.55) KDM4EMTNR1AMTNR1BMAPTALDH1A1
SCHEMBL10376845 0.84 MEN1 (0.55) KDM4EMTNR1AMTNR1BMAPTALDH1A1
SCHEMBL10662062 0.84 KDM4E (0.52) KDM4EMTNR1AMTNR1BMAPTHDAC8
SCHEMBL7384130 0.80 MAPT (0.53) MAPTNPSR1ALDH1A1LMNAMEN1
SCHEMBL7384129 0.80 MAPT (0.53) MAPTNPSR1ALDH1A1LMNAMEN1
SCHEMBL29138776 0.79 MTNR1A (0.51) KDM4EMTNR1AMTNR1BMAPTHDAC8

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-5286869-A Vasodilators and anticoagulants FUJIREBIO KABUSHIKI KAISHA (JP) 1994-02-15 — — US disclosed
EP-0403957-A2 Optical active 1,4-dihydropyridine derivates FUJIREBIO INC. (JP) 1990-12-27 — — EP disclosed
US-4621082-A Pyridopyrimidines, pharmaceutical compositions and use BAYER AKTIENGESELLSCHAFT (DE) 1986-11-04 — — US disclosed
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