SCHEMBL18768210

SCHEMBL18768210

COc1cccc(CC(C)(C)N2CCC(CNC(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 5/20 0.47
▸ DRD2 P14416 3/20 0.46
▸ TGFBR1 P36897 1/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ CKS1B P61024 1/20 0.44
▸ SKP1 P63208 1/20 0.44
▸ SKP2 Q13309 1/20 0.44
▸ CACNA1B Q00975 1/20 0.44
▸ ACACA Q13085 4/20 0.43
▸ PKM P14618 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL18766914 0.87 EEF2K (0.46) ACACBDRD2CKS1BSKP1SKP2
SCHEMBL18767431 0.86 MEN1 (0.46) DRD2MEN1KMT2APKMSMN1; SMN2
SCHEMBL29725632 0.86 MEN1 (0.57) DRD2MEN1KMT2AKDM4EDRD4
SCHEMBL18766905 0.84 KMT2A (0.54) ACACBDRD2TGFBR1MEN1KMT2A
SCHEMBL18766901 0.82 MAPT (0.46) ACACBDRD2TGFBR1MEN1KMT2A
SCHEMBL18768209 0.81 ADRA1D (0.41) MEN1KMT2AALDH1A1
SCHEMBL18767433 0.78 HTR1A (0.46) —
SCHEMBL32665269 0.75 CKS1B (0.55) ACACBDRD2KMT2ACKS1BSKP1
SCHEMBL29725623 0.75 ACHE (0.61) DRD2MEN1KMT2ASMN1; SMN2DRD4
SCHEMBL23559679 0.74 CKS1B (0.48) ACACBDRD2MEN1KMT2ACKS1B

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-2017066705-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AGAINST STRESS GRANULES AQUINNAH PHARMACEUTICALS, INC. (US) 2017-04-20 — — WO disclosed
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