SCHEMBL18666239

SCHEMBL18666239

COc1ccc(Oc2cc(-c3cc(C(=O)NCC(=O)Nc4ccccc4Oc4cccc(O)c4)c4ccccc4c3)ccc2NC(=O)CNC(=O)c2cccc3ccccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MTNR1B P49286 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.41
▸ HSP90AB1 P08238 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ PYGM P11217 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ AURKA O14965 1/20 0.38
▸ MET P08581 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ TEK Q02763 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RECQL P46063 1/20 0.38

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
SCHEMBL24723933 0.93 MTNR1B (0.38) MTNR1BALDH1A1KDM4EMAPTPOLB
SCHEMBL18666150 0.85 MTNR1B (0.47) MTNR1BALDH1A1KDM4EMAPTHPGD
SCHEMBL18666149 0.84 ALDH1A1 (0.55) MTNR1BALDH1A1KDM4EMAPTPOLB
SCHEMBL30567101 0.83 MTNR1B (0.63) MTNR1BALDH1A1KDM4EMAPTPOLB
SCHEMBL18666151 0.83 MTNR1B (0.63) MTNR1BALDH1A1KDM4EMAPTPOLB
SCHEMBL24724653 0.81 ALDH1A1 (0.38) MTNR1BALDH1A1KDM4EMAPTPOLB
SCHEMBL18666199 0.80 DEGS1 (0.49) ALDH1A1KDM4EPOLBLMNATDP1
SCHEMBL18666146 0.79 ADRA2C (0.54) MTNR1BALDH1A1POLBLMNATDP1
SCHEMBL29660113 0.79 ADRA2C (0.54) MTNR1BALDH1A1POLBLMNATDP1
SCHEMBL26267577 0.77 ALDH1A1 (0.39) MTNR1BALDH1A1KDM4EMAPTPOLB

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
WO-2022232509-A1 PCNA INHIBITORS AND EGFR INHIBITORS FOR CANCER TREATMENT CITY OF HOPE (US) 2022-11-03 — — WO disclosed
WO-2017049206-A1 PCNA INHIBITORS CITY OF HOPE (US) 2017-03-23 — — WO disclosed
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