SCHEMBL28937953

SCHEMBL28937953

CC(C)c1ccc(C(=O)c2ccc(OCC(=O)Nc3cccnc3)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.77
▸ GALR3 O60755 1/20 0.77
▸ TDP1 Q9NUW8 1/20 0.77
▸ KCNH2 Q12809 3/20 0.66
▸ NOTUM Q6P988 6/20 0.65
▸ NPC1 O15118 4/20 0.61
▸ POLB P06746 1/20 0.59
▸ RECQL P46063 1/20 0.54
▸ TRPV1 Q8NER1 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53

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
SCHEMBL30117342 1.00 RAB9A (0.77) RAB9AGALR3TDP1KCNH2NOTUM
SCHEMBL30117338 0.87 RAB9A (0.82) RAB9AGALR3TDP1KCNH2NOTUM
SCHEMBL28937937 0.87 RAB9A (0.82) RAB9AGALR3TDP1KCNH2NOTUM
SCHEMBL30117344 0.87 RAB9A (0.82) RAB9AGALR3TDP1KCNH2NOTUM
SCHEMBL28937965 0.87 RAB9A (0.82) RAB9AGALR3TDP1KCNH2NOTUM
SCHEMBL28937968 0.86 RAB9A (0.84) RAB9AGALR3TDP1KCNH2NOTUM
SCHEMBL30117309 0.86 RAB9A (0.84) RAB9AGALR3TDP1KCNH2NOTUM
SCHEMBL30117343 0.85 RAB9A (0.79) RAB9AGALR3TDP1KCNH2NOTUM
SCHEMBL30117310 0.85 TDP1 (0.82) RAB9AGALR3TDP1KCNH2NOTUM
SCHEMBL28937960 0.85 RAB9A (0.82) RAB9AGALR3TDP1KCNH2NOTUM

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-115611805-A Benzophenone compound and preparation method and application thereof 山东大学 2023-01-17 — — CN disclosed
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