SCHEMBL29125958

SCHEMBL29125958

CCc1ccc(OC(CC)CCSCc2n[nH]c(=O)[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ KMT2A Q03164 3/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ LMNA P02545 2/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ GLA P06280 1/20 0.33
▸ MMP13 P45452 1/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ PPARA Q07869 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ XBP1 P17861 1/20 0.31
▸ PLA2G2A P14555 1/20 0.31
▸ NOTUM Q6P988 1/20 0.30
▸ MEN1 O00255 1/20 0.30

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
SCHEMBL29125776 0.89 NPC1 (0.34) KMT2ALMNANPC1RAB9AMAPK1
SCHEMBL29126014 0.80 NOTUM (0.41) ALDH1A1NPC1RAB9ANOTUM
SCHEMBL29125848 0.76 ALDH1A1 (0.48) ALDH1A1TSHRKMT2AHSD17B10LMNA
SCHEMBL29125834 0.76 KMT2A (0.41) ALDH1A1TSHRKMT2AHSD17B10LMNA
SCHEMBL29125806 0.75 NPC1 (0.42) ALDH1A1TSHRKMT2AHSD17B10LMNA
SCHEMBL29125718 0.74 TSHR (0.46) ALDH1A1TSHRKMT2AHSD17B10LMNA
SCHEMBL29126036 0.71 TSHR (0.46) ALDH1A1TSHRKMT2AHSD17B10LMNA
SCHEMBL29125829 0.69 KMT2A (0.44) ALDH1A1TSHRKMT2AHSD17B10LMNA
SCHEMBL29125737 0.68 TSHR (0.41) ALDH1A1TSHRKMT2AHSD17B10LMNA
SCHEMBL30788528 0.68 LMNA (0.44) ALDH1A1TSHRKMT2AHSD17B10LMNA

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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