SCHEMBL29125892

SCHEMBL29125892

CC(C)c1ccc(OCc2n[nH]c(=S)[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ POLB P06746 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ RAB9A P51151 3/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ HPGD P15428 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MRGPRX4 Q96LA9 1/20 0.38
▸ RECQL P46063 1/20 0.37
▸ PKM P14618 2/20 0.37
▸ APOBEC3G Q9HC16 2/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL29125818 0.85 TSHR (0.45) SMN1; SMN2HTTLMNAPOLBRXRA
SCHEMBL29125964 0.80 MAOB (0.41) SMN1; SMN2RAB9ANPC1KDM4EALDH1A1
SCHEMBL29125838 0.79 MAPT (0.35) SMN1; SMN2HTTLMNAPOLBGAA
SCHEMBL29125912 0.79 RAB9A (0.53) SMN1; SMN2LMNAGAAKCNH2RAB9A
SCHEMBL20782346 0.74 RXRA (0.42) SMN1; SMN2HTTLMNAPOLBGAA
SCHEMBL29128201 0.73 RXRA (0.41) SMN1; SMN2HTTLMNAPOLBGAA
SCHEMBL29125879 0.70 SOD1 (0.49) SMN1; SMN2HTTLMNAPOLBGAA
SCHEMBL30788509 0.70 SOD1 (0.49) SMN1; SMN2HTTLMNAPOLBGAA
SCHEMBL13160063 0.69 RXRA (0.72) POLBRXRARXRBRAB9ANPC1
SCHEMBL12279053 0.69 RXRA (0.72) POLBRXRARXRBRAB9ANPC1

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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