SCHEMBL9216988

SCHEMBL9216988

CCCc1cc(=O)oc2cc(OCC3CNCCO3)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 11/20 0.53
▸ ALDH1A1 P00352 9/20 0.53
▸ HPGD P15428 7/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ PKM P14618 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ HSD17B10 Q99714 3/20 0.52
▸ GAA P10253 3/20 0.52
▸ CYP2C19 P33261 3/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ CYP2C9 P11712 2/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ RAB9A P51151 3/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ POLB P06746 2/20 0.50
▸ HSP90AA1 P07900 1/20 0.50
▸ MAPT P10636 2/20 0.47
▸ HSD17B3 P37058 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46

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
Fumaric Acid SCHEMBL9214567 0.93 KMT2A (0.51) KDM4EALDH1A1HPGDKMT2APKM
Maleic Acid SCHEMBL9214558 0.93 KMT2A (0.51) KDM4EALDH1A1HPGDKMT2APKM
Hydrochloric Acid SCHEMBL9219927 0.92 ALDH1A1 (0.51) KDM4EALDH1A1HPGDKMT2APKM
SCHEMBL9218485 0.86 ALDH1A1 (0.54) KDM4EALDH1A1HPGDKMT2ATDP1
Hydrochloric Acid SCHEMBL9220668 0.85 ALDH1A1 (0.53) KDM4EALDH1A1HPGDKMT2ATDP1
SCHEMBL9211102 0.81 MAOB (0.55) KDM4EALDH1A1HPGDCYP2C19CYP1A2
Hydrochloric Acid SCHEMBL9213168 0.80 MAOB (0.57) KDM4EALDH1A1HPGDCYP2C19CYP1A2
Hydrochloric Acid SCHEMBL9217447 0.80 MAOB (0.57) KDM4EALDH1A1HPGDCYP2C19CYP1A2
Hydrochloric Acid SCHEMBL9211581 0.80 MAOB (0.57) KDM4EALDH1A1HPGDCYP2C19CYP1A2
SCHEMBL9220212 0.79 CA12 (0.51) KDM4EALDH1A1HPGDKMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0411912-B1 Coumarin derivatives, their preparation and their use in the treatment of cerebrovascular disorders SANKYO CO (JP) 1995-04-19 — — EP disclosed
EP-0411912-A2 Coumarin derivatives, their preparation and their use in the treatment of cerebrovascular disorders Sankyo Company Limited (JP) 1991-02-06 — — EP disclosed
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