SCHEMBL7990035

SCHEMBL7990035

CCOC(=O)c1nc(-c2ccc(N3C(C)COCC3C)cc2)[nH]c1-c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 3/20 0.46
SIRT1 Q96EB6 3/20 0.46
SIRT3 Q9NTG7 1/20 0.46
TARBP2 Q15633 1/20 0.46
GABRA2 P47869 3/20 0.44
GABRB2 P47870 3/20 0.44
TP53 P04637 2/20 0.42
MDM2 Q00987 1/20 0.42
GCGR P47871 1/20 0.42
CHEK1 O14757 1/20 0.42
EGFR P00533 1/20 0.42
KDR P35968 1/20 0.42
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALOX5 P09917 1/20 0.40
PTGS2 P35354 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
SCHEMBL7977606 0.86 CHEK2 (0.38) GCGRKDM4EMAPTKMT2A
SCHEMBL7977895 0.83 SIRT2 (0.61) SIRT2SIRT1SIRT3TARBP2GABRA2
SCHEMBL7977742 0.82 PRKD3 (0.49) SIRT2SIRT1SIRT3TARBP2GABRA2
SCHEMBL7991809 0.81 SIRT2 (0.59) SIRT2SIRT1SIRT3TARBP2GABRA2
SCHEMBL7989667 0.81 SIRT2 (0.61) SIRT2SIRT1SIRT3TARBP2GABRA2
SCHEMBL7989520 0.80 SLC2A1 (0.51) SIRT2SIRT1SIRT3TARBP2TP53
SCHEMBL7977730 0.80 SIRT2 (0.50) SIRT2SIRT1SIRT3TARBP2GABRA2
SCHEMBL7991536 0.79 SIRT2 (0.52) SIRT2SIRT1SIRT3TARBP2GABRA2
SCHEMBL7989731 0.79 SIRT2 (0.49) SIRT2SIRT1SIRT3TARBP2GABRA2
SCHEMBL7977723 0.78 SIRT2 (0.48) SIRT2SIRT1SIRT3TARBP2GABRA2

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-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed