SCHEMBL16266114

SCHEMBL16266114

Cc1ccc2c(c1)c1c(n2C)C(C(N)=O)CCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 7/20 1.00
▸ USP2 O75604 2/20 1.00
▸ SIRT1 Q96EB6 4/20 0.58
▸ RECQL P46063 1/20 0.58
▸ SIRT2 Q8IXJ6 1/20 0.58
▸ PAX8 Q06710 1/20 0.54
▸ KDM4E B2RXH2 6/20 0.51
▸ GAA P10253 2/20 0.51
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ TEAD4 Q15561 2/20 0.47
▸ YAP1 P46937 1/20 0.47
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ TP53 P04637 1/20 0.46

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
SCHEMBL1875327 0.89 HSD17B10 (0.80) HSD17B10USP2SIRT1RECQLSIRT2
SCHEMBL5445875 0.82 HSD17B10 (0.69) HSD17B10USP2SIRT1RECQLSIRT2
SCHEMBL29915361 0.73 SIRT1 (1.00) HSD17B10USP2SIRT1RECQLSIRT2
SCHEMBL8244015 0.73 SIRT1 (1.00) HSD17B10USP2SIRT1RECQLSIRT2
SCHEMBL29202845 0.72 HSD17B10 (0.56) HSD17B10USP2SIRT1SIRT2KDM4E
SCHEMBL15451340 0.70 SIRT1 (1.00) HSD17B10USP2SIRT1RECQLSIRT2
SCHEMBL15278259 0.68 MAPT (0.62) HSD17B10USP2PAX8KDM4EGAA
SCHEMBL15101429 0.68 ALOX5 (0.67) HSD17B10USP2KDM4EGAAMEN1
SCHEMBL20370864 0.68 KDM4E (0.63) HSD17B10USP2KDM4EGAAMEN1
SCHEMBL4160835 0.68 KDM4E (1.00) HSD17B10USP2RECQLPAX8KDM4E

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
EP-1677794-B1 METHODS OF TREATING DISORDER ELIXIR PHARMACEUTICALS INC (US) 2014-12-03 — — EP disclosed
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