SCHEMBL30227980

SCHEMBL30227980

Cc1ccccc1-c1cc(=O)oc2cc(CCC(=O)N3CCCCC3)ccc12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ MAPT P10636 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ NAAA Q02083 1/20 0.45
▸ ALDH1A2 O94788 1/20 0.45
▸ ALDH2 P05091 1/20 0.45
▸ ALDH1B1 P30837 1/20 0.45
▸ ALDH1A3 P47895 1/20 0.45
▸ KCNA3 P22001 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ RAB9A P51151 1/20 0.41

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
SCHEMBL30228338 0.83 KCNA3 (0.50) SMN1; SMN2ALDH1A1KCNA3GAAHPGD
SCHEMBL30227927 0.82 HSD17B10 (0.42) NPC1SMN1; SMN2ALDH1A1KCNA3TP53
SCHEMBL30228133 0.82 KCNA3 (0.42) NPC1TDP1SMN1; SMN2ALDH1A1KCNA3
SCHEMBL30228280 0.81 CHRM2 (0.51) NPC1TDP1SMN1; SMN2ALDH1A1KCNA3
SCHEMBL30228272 0.81 CHRM2 (0.51) NPC1TDP1SMN1; SMN2ALDH1A1KCNA3
SCHEMBL30228194 0.81 KCNA3 (0.48) MAPTALDH1A1KCNA3GAAHPGD
SCHEMBL30228032 0.80 PLA2G7 (0.62) NPC1MAPTSMN1; SMN2ALDH1A1KCNA3
SCHEMBL30227924 0.79 KCNA3 (0.46) NPC1MAPTSMN1; SMN2ALDH1A1KCNA3
SCHEMBL31710481 0.76 KCNA3 (0.52) TDP1SMN1; SMN2ALDH1A1ALDH2KCNA3
SCHEMBL30228381 0.75 KCNA3 (0.56) NPC1TDP1SMN1; SMN2ALDH1A1ALDH2

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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