SCHEMBL31454905

SCHEMBL31454905

CCCOc1ccc2c(CCC)cc(=O)oc2c1C(=O)N1CCCc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.61
▸ HPGD P15428 8/20 0.61
▸ KDM4E B2RXH2 8/20 0.61
▸ MAPT P10636 7/20 0.61
▸ GAA P10253 2/20 0.61
▸ NPSR1 Q6W5P4 2/20 0.61
▸ LMNA P02545 1/20 0.61
▸ HTT P42858 1/20 0.61
▸ CYP2C19 P33261 3/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ TSHR P16473 3/20 0.51
▸ HSD17B10 Q99714 3/20 0.51
▸ POLB P06746 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ KMT2A Q03164 3/20 0.47
▸ MAPK1 P28482 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ AVPR2 P30518 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
SCHEMBL31454840 0.95 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL31454852 0.95 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL31454873 0.95 ALDH1A1 (0.67) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL31454875 0.94 ALDH1A1 (0.58) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL31454906 0.94 ALDH1A1 (0.57) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL31454874 0.93 ALDH1A1 (0.57) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL31454879 0.92 KDM4E (0.56) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL31454893 0.91 ALDH1A1 (0.60) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL31454915 0.90 ALDH1A1 (0.57) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL31454934 0.90 CYP2C19 (0.60) ALDH1A1HPGDKDM4EMAPTGAA

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
WO-2025042896-A1 DNA TOPOISOMERASE IIβ INHIBITORS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2025-02-27 — — WO disclosed
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