SCHEMBL29125803

SCHEMBL29125803

CCc1ccc(OCCCSCc2n[nH]c(=O)[nH]2)c(CC)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ MMP13 P45452 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HTT P42858 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ ATM Q13315 1/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ LTB4R Q15722 1/20 0.31
▸ GAA P10253 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
SCHEMBL29125874 0.90 KMT2A (0.34) KMT2AHSD17B10ALDH1A1TSHRLMNA
SCHEMBL29125829 0.85 KMT2A (0.44) KMT2AHSD17B10ALDH1A1TSHRMMP13
SCHEMBL29128355 0.80 LMNA (0.33) ALDH1A1LMNAHTTMAPTUSP2
SCHEMBL29125954 0.79 LMNA (0.44) KMT2AHSD17B10ALDH1A1TSHRMMP13
SCHEMBL30788528 0.79 LMNA (0.44) KMT2AHSD17B10ALDH1A1TSHRMMP13
SCHEMBL29126003 0.79 TSHR (0.49) KMT2AHSD17B10ALDH1A1TSHRMMP13
SCHEMBL29125945 0.77 LMNA (0.40) KMT2AHSD17B10ALDH1A1TSHRMMP13
SCHEMBL29125810 0.76 KMT2A (0.39) KMT2AHSD17B10ALDH1A1TSHRLMNA
SCHEMBL29125809 0.74 TSHR (0.46) KMT2ATSHRMMP13LMNAMEN1
SCHEMBL29125948 0.73 KMT2A (0.53) KMT2AALDH1A1TSHRMMP13LMNA

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
Send feedback