SCHEMBL28025700

SCHEMBL28025700

CC(=O)c1cc(-c2cccc3ccccc23)oc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.51
▸ HPGD P15428 4/20 0.51
▸ LMNA P02545 2/20 0.51
▸ MAOB P27338 4/20 0.46
▸ KDM4E B2RXH2 4/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CA12 O43570 1/20 0.44
▸ NT5E P21589 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ PRKDC P78527 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ MAOA P21397 2/20 0.42
▸ MCL1 Q07820 1/20 0.40
▸ ACMSD Q8TDX5 1/20 0.40
▸ GAA P10253 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL30482431 0.78 HTR2C (0.46) ALDH1A1HPGDLMNAMAOBCYP1A2
SCHEMBL27288181 0.77 ATM (0.39) ALDH1A1HPGDLMNAKDM4ECYP1A2
SCHEMBL10517126 0.77 ALDH1A1 (0.52) ALDH1A1HPGDKDM4ECYP1A2MEN1
SCHEMBL9834670 0.74 ALDH1A1 (0.59) ALDH1A1HPGDLMNAKDM4ECYP1A2
SCHEMBL23759473 0.74 NR4A1 (0.52) ALDH1A1HPGDLMNAMAOBKDM4E
SCHEMBL30175841 0.74 ALDH1A1 (0.54) ALDH1A1HPGDLMNAKDM4EMEN1
SCHEMBL28025262 0.72 HTR2C (0.41) ALDH1A1HPGDLMNAMAOBKDM4E
SCHEMBL28025703 0.72 CHEK1 (0.38) ALDH1A1HPGDMAOBKDM4EGAA
SCHEMBL8536799 0.72 NPC1 (0.58) ALDH1A1HPGDLMNAKDM4ECYP1A2
SCHEMBL50651 0.69 NR4A1 (0.65) ALDH1A1HPGDLMNAMAOBKDM4E

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-104910105-A Method for preparation of polysubstituted furan derivative from gem-difluoroolefin UNIV EAST CHINA SCIENCE & TECH 2015-09-16 — — CN disclosed
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