SCHEMBL30228324

SCHEMBL30228324

CCOC(=O)C(C)Cc1ccc2c(-c3ccccc3C)cc(=O)oc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ KCNA3 P22001 1/20 0.46
▸ IGLV6-57 P01721 3/20 0.45
▸ AR P10275 2/20 0.45
▸ HPGD P15428 7/20 0.44
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ USP2 O75604 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CA12 O43570 2/20 0.40
▸ CA9 Q16790 2/20 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
SCHEMBL30227976 0.88 KCNA3 (0.48) ALDH1A1KDM4ELMNAHTTRECQL
SCHEMBL30228317 0.87 KCNA3 (0.47) ALDH1A1KDM4ELMNAHTTRECQL
SCHEMBL30228319 0.87 KCNA3 (0.47) ALDH1A1KDM4ELMNAHTTRECQL
SCHEMBL30228192 0.85 KCNA3 (0.46) ALDH1A1KDM4ELMNAHTTRECQL
SCHEMBL30228296 0.85 KCNA3 (0.46) ALDH1A1KDM4ELMNAHTTRECQL
SCHEMBL30227924 0.82 KCNA3 (0.46) ALDH1A1KDM4ELMNAHTTRECQL
SCHEMBL20839098 0.82 ALDH1A1 (0.64) ALDH1A1KDM4ELMNAHTTRECQL
SCHEMBL30227928 0.81 ALDH1A1 (0.41) ALDH1A1KDM4ELMNAHTTRECQL
SCHEMBL30227927 0.81 HSD17B10 (0.42) ALDH1A1KDM4EHTTKCNA3IGLV6-57
SCHEMBL31710481 0.78 KCNA3 (0.52) ALDH1A1KDM4ELMNAHTTRECQL

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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