SCHEMBL30228101

SCHEMBL30228101

CCOC(=O)[C@@H](C)N(C)c1ccc2c(-c3ccc(F)cc3Cl)cc(=O)oc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.44
▸ KDM4E B2RXH2 5/20 0.44
▸ HTT P42858 4/20 0.44
▸ LMNA P02545 2/20 0.44
▸ RECQL P46063 1/20 0.44
▸ HPGD P15428 5/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ GLA P06280 3/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ TDP1 Q9NUW8 3/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.40
▸ IGLV6-57 P01721 5/20 0.39
▸ HSD17B10 Q99714 4/20 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
SCHEMBL30228000 0.88 ALDH1A1 (0.41) ALDH1A1KDM4EHTTRECQLHPGD
SCHEMBL30227944 0.87 ALDH1A1 (0.43) ALDH1A1KDM4EHTTLMNARECQL
SCHEMBL30228136 0.87 ALDH1A1 (0.41) ALDH1A1KDM4EHTTRECQLHPGD
SCHEMBL30228094 0.86 ALDH1A1 (0.45) ALDH1A1KDM4EHTTLMNARECQL
SCHEMBL30762863 0.82 ALDH1A1 (0.57) ALDH1A1KDM4EHTTLMNARECQL
SCHEMBL30360979 0.82 ALDH1A1 (0.57) ALDH1A1KDM4EHTTLMNARECQL
SCHEMBL20839167 0.82 ALDH1A1 (0.57) ALDH1A1KDM4EHTTLMNARECQL
SCHEMBL20847991 0.82 ALDH1A1 (0.57) ALDH1A1KDM4EHTTLMNARECQL
SCHEMBL30227928 0.81 ALDH1A1 (0.41) ALDH1A1KDM4EHTTLMNARECQL
SCHEMBL30228254 0.81 DPP4 (0.44) ALDH1A1KDM4EHPGDMEN1KMT2A

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-2023034346-A1 CHROMEN-2-ONE MODULATORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2023-03-09 — — WO disclosed
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