SCHEMBL30788523

SCHEMBL30788523

CCc1ccc(OCCCSCc2n[nH]c(=S)o2)cc1CC

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 14/20 0.58
▸ LMNA P02545 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ POLB P06746 3/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MTNR1B P49286 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ RECQL P46063 1/20 0.35

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
SCHEMBL29125846 1.00 ALDH1A1 (0.58) ALDH1A1LMNAKDM4EHSD17B10ALOX15
SCHEMBL29126012 0.88 ALDH1A1 (0.42) ALDH1A1LMNAKDM4EKMT2AMEN1
SCHEMBL30788482 0.88 ALDH1A1 (0.42) ALDH1A1LMNAKDM4EKMT2AMEN1
SCHEMBL29125903 0.80 ALDH1A1 (0.88) ALDH1A1LMNAKDM4EHSD17B10ALOX15
SCHEMBL29125772 0.80 ALDH1A1 (0.41) ALDH1A1LMNAKDM4ETSHRKMT2A
SCHEMBL30788472 0.80 ALDH1A1 (0.41) ALDH1A1LMNAKDM4ETSHRKMT2A
SCHEMBL29125935 0.80 ALDH1A1 (0.63) ALDH1A1LMNAKDM4EHSD17B10ALOX15
SCHEMBL29125969 0.79 ALDH1A1 (0.65) ALDH1A1LMNAKDM4EHSD17B10ALOX15
SCHEMBL30788521 0.79 ALDH1A1 (0.65) ALDH1A1LMNAKDM4EHSD17B10ALOX15
SCHEMBL29125702 0.78 ALDH1A1 (0.53) ALDH1A1LMNAKDM4EHSD17B10ALOX15

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-117247361-A Phenol-oxazolone/thioketone compound and synthetic method and application thereof 吉首大学 2023-12-19 — — CN disclosed
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