SCHEMBL29125702

SCHEMBL29125702

CCc1cccc(OCCCSCc2n[nH]c(=S)o2)c1CC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 17/20 0.53
▸ KDM4E B2RXH2 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ POLB P06746 2/20 0.40
▸ HSD17B10 Q99714 3/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HPGD P15428 4/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ PPARG P37231 1/20 0.37
▸ STAT3 P40763 1/20 0.37
▸ NCOA2 Q15596 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34

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
SCHEMBL29125765 0.88 ALDH1A1 (0.38) ALDH1A1KDM4ELMNAPOLBTSHR
SCHEMBL29128328 0.81 MAPT (0.32) ALDH1A1HPGDMAPT
SCHEMBL29125905 0.79 ALDH1A1 (0.61) ALDH1A1KDM4ELMNAPOLBHSD17B10
SCHEMBL29125668 0.79 ALDH1A1 (0.61) ALDH1A1KDM4ELMNAPOLBHSD17B10
SCHEMBL30788523 0.78 ALDH1A1 (0.58) ALDH1A1KDM4ELMNAPOLBHSD17B10
SCHEMBL29125846 0.78 ALDH1A1 (0.58) ALDH1A1KDM4ELMNAPOLBHSD17B10
SCHEMBL29125817 0.78 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAPOLBHSD17B10
SCHEMBL29125711 0.77 ALDH1A1 (0.41) ALDH1A1KDM4ELMNAPOLBHSD17B10
SCHEMBL29125903 0.76 ALDH1A1 (0.88) ALDH1A1KDM4ELMNAPOLBHSD17B10
SCHEMBL29125728 0.75 ALDH1A1 (0.58) ALDH1A1KDM4ELMNAPOLBHSD17B10

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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