SCHEMBL29125818

SCHEMBL29125818

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.45
▸ RXRA P19793 1/20 0.44
▸ RXRB P28702 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ RAB9A P51151 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAOB P27338 3/20 0.41
▸ MAOA P21397 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ NOTUM Q6P988 1/20 0.41
▸ FKBP1A P62942 1/20 0.41
▸ MRGPRX4 Q96LA9 1/20 0.41
▸ RECQL P46063 1/20 0.40

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
SCHEMBL29125892 0.85 SMN1; SMN2 (0.44) RXRARXRBLMNAHTTSMN1; SMN2
SCHEMBL15652091 0.83 MAOB (0.43) TSHRSMN1; SMN2RAB9AMAOBMAOA
SCHEMBL29125705 0.83 SMN1; SMN2 (0.50) TSHRHTTSMN1; SMN2RAB9ANPC1
SCHEMBL29125853 0.80 DAO (0.45) RAB9ANPC1MAOBMAOA
SCHEMBL29125822 0.79 RAB9A (0.54) TSHRSMN1; SMN2RAB9ANPC1
SCHEMBL20782346 0.74 RXRA (0.42) RXRARXRBLMNAHTTSMN1; SMN2
SCHEMBL29128526 0.73 RXRA (0.44) RXRARXRBLMNAHTTSMN1; SMN2
SCHEMBL30788473 0.70 SOD1 (0.56) TSHRLMNAHTTSMN1; SMN2KDM4E
SCHEMBL29125895 0.70 SOD1 (0.56) TSHRLMNAHTTSMN1; SMN2KDM4E
SCHEMBL12279053 0.69 RXRA (0.72) RXRARXRBRAB9ANPC1KDM4E

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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