SCHEMBL16130822

SCHEMBL16130822

CCn1ccc(=O)n(C(C)C)c1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.33
▸ P2RX3 P56373 1/20 0.33
▸ ACACB O00763 1/20 0.32
▸ GSK3A P49840 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ TNF P01375 1/20 0.32
▸ LITAF Q99732 1/20 0.32
▸ CCNT1 O60563 1/20 0.31
▸ CDK9 P50750 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ PIK3CD O00329 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ PIK3CB P42338 1/20 0.30
▸ PI4KA P42356 1/20 0.30
▸ PIK3CG P48736 1/20 0.30
▸ PI4KB Q9UBF8 1/20 0.30

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
SCHEMBL26815267 0.78 HTR2C (0.41) —
SCHEMBL24665500 0.74 HSD17B13 (0.44) ALDH1A1
SCHEMBL9802974 0.74 HSD17B13 (0.41) GSK3AGSK3BKDM4EALDH1A1MAPK1
SCHEMBL4490436 0.74 POLB (0.32) ALDH1A1POLB
SCHEMBL21846831 0.74 CRBN (0.34) KDM4EALDH1A1POLB
SCHEMBL10376057 0.72 PIK3CD (0.34) PKMKDM4EALDH1A1MAPK1PIK3CD
SCHEMBL23028988 0.72 POLB (0.32) POLB
SCHEMBL29776954 0.72 CDK4 (0.33) PKM
SCHEMBL26039730 0.71 TSHR (0.42) ACACB
SCHEMBL23260078 0.71 POLB (0.36) P2RX3POLB

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
US-8846638-B2 Macrocyclic nucleoside phosphoramidate derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-09-30 — — US disclosed
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