SCHEMBL29125829

SCHEMBL29125829

CCc1ccc(CC)c(OCCSCc2n[nH]c(=O)[nH]2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ TSHR P16473 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ MMP13 P45452 1/20 0.36
▸ LMNA P02545 3/20 0.36
▸ HTT P42858 1/20 0.36
▸ GLA P06280 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ LTB4R Q15722 1/20 0.32
▸ BTK Q06187 1/20 0.31
▸ BRS3 P32247 1/20 0.31
▸ GPR84 Q9NQS5 1/20 0.30
▸ DAO P14920 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
SCHEMBL29125842 0.90 ALDH1A1 (0.36) KMT2AHSD17B10TSHRALDH1A1LMNA
SCHEMBL29125803 0.85 KMT2A (0.43) KMT2AHSD17B10TSHRALDH1A1MMP13
SCHEMBL29125839 0.78 KMT2A (0.40) KMT2AHSD17B10TSHRALDH1A1LMNA
SCHEMBL29125954 0.75 LMNA (0.44) KMT2AHSD17B10TSHRALDH1A1MMP13
SCHEMBL30788528 0.75 LMNA (0.44) KMT2AHSD17B10TSHRALDH1A1MMP13
SCHEMBL29125874 0.75 KMT2A (0.34) KMT2AHSD17B10TSHRALDH1A1LMNA
SCHEMBL29125824 0.74 TSHR (0.40) KMT2AHSD17B10TSHRALDH1A1MMP13
SCHEMBL29125734 0.74 TSHR (0.40) KMT2AHSD17B10TSHRALDH1A1MMP13
SCHEMBL29125687 0.73 TSHR (0.44) KMT2AHSD17B10TSHRALDH1A1MMP13
SCHEMBL29125771 0.72 KMT2A (0.54) KMT2ATSHRALDH1A1MMP13LMNA

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