SCHEMBL29125913

SCHEMBL29125913

CC(C)(C)c1ccc(OCSCc2n[nH]c(=O)[nH]2)cc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ LMNA P02545 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GLA P06280 1/20 0.32
▸ DAO P14920 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ MMP3 P08254 1/20 0.31
▸ MMP7 P09237 1/20 0.31
▸ MMP12 P39900 1/20 0.31
▸ ADAM17 P78536 1/20 0.31

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
SCHEMBL30788480 1.00 TSHR (0.40) TSHRKMT2AMMP13LMNAHSD17B10
SCHEMBL29125882 0.88 ALDH1A1 (0.31) ALDH1A1
SCHEMBL30788508 0.88 ALDH1A1 (0.31) ALDH1A1
SCHEMBL29125955 0.79 LMNA (0.46) TSHRKMT2AMMP13LMNAHSD17B10
SCHEMBL29125727 0.79 MTNR1B (0.37) ALDH1A1
SCHEMBL30788544 0.79 MTNR1B (0.37) ALDH1A1
SCHEMBL30788492 0.79 LMNA (0.43) TSHRKMT2AMMP13LMNAHSD17B10
SCHEMBL29125931 0.79 LMNA (0.43) TSHRKMT2AMMP13LMNAHSD17B10
SCHEMBL30788495 0.75 KMT2A (0.47) TSHRKMT2AMMP13LMNAHSD17B10
SCHEMBL29125925 0.75 KMT2A (0.47) TSHRKMT2AMMP13LMNAHSD17B10

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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