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SCHEMBL10104792

SCHEMBL10104792

COC(=O)c1ccc2c(c1)CCN(Cc1ccc(NC(=O)C3(C)CCN(C(=O)OC(C)(C)NC(=O)C4(C)CCN(C(=O)O)CC4)CC3)cc1)C2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.47
▸ NOD1 Q9Y239 10/20 0.42
▸ TNF P01375 9/20 0.42
▸ NOD2 Q9HC29 9/20 0.42
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ ABCB1 P08183 4/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL9950511 0.90 ACACB (0.52) ACACBNOD1TNFNOD2MEN1
SCHEMBL10120396 0.82 HDAC6 (0.49) NOD1TNFNOD2MEN1KMT2A
SCHEMBL9960462 0.81 SMN1; SMN2 (0.50) NOD1TNFNOD2MEN1KMT2A
SCHEMBL9950126 0.72 ACACB (0.55) ACACBRAB9ANPC1
SCHEMBL3968486 0.72 ACACB (0.69) ACACBNOD1TNFNOD2MEN1
SCHEMBL9949180 0.70 ESR2 (0.54) ACACBRAB9ANPC1
SCHEMBL10104762 0.70 NOD1 (0.50) NOD1TNFNOD2MEN1KMT2A
SCHEMBL9950571 0.70 ACACB (0.69) ACACBNOD1TNFNOD2MEN1
SCHEMBL9949513 0.70 ACACB (0.54) ACACBABCB1LMNA
SCHEMBL4517559 0.70 ACACB (0.66) ACACBNOD1TNFNOD2MEN1

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
WO-2012088015-A2 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-28 — — WO disclosed