SCHEMBL8917960

SCHEMBL8917960

CC(C)(C)OC(=O)N1CCC[C@H]1C=CCCCCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.36
TERT O14746 3/20 0.35
MAPT P10636 2/20 0.35
BLM P54132 2/20 0.35
FABP4 P15090 2/20 0.35
F7 P08709 2/20 0.35
F3 P13726 2/20 0.35
PTPN1 P18031 2/20 0.35
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
GMNN O75496 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL2688426 0.84 ALDH1A1 (0.41) HSD17B10ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL2688423 0.84 ALDH1A1 (0.41) HSD17B10ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL2688427 0.84 ALDH1A1 (0.41) HSD17B10ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL9972607 0.83 HSD17B10 (0.37) HSD17B10SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL3046635 0.82 FKBP1A (0.45) ALDH1A1KMT2AMEN1L3MBTL1LMNA
SCHEMBL3046636 0.82 FKBP1A (0.45) ALDH1A1KMT2AMEN1L3MBTL1LMNA
SCHEMBL9972620 0.82 HSD17B10 (0.38) HSD17B10SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL3045671 0.81 FKBP1A (0.45) ALDH1A1KMT2AMEN1L3MBTL1LMNA
SCHEMBL3045668 0.81 FKBP1A (0.45) ALDH1A1KMT2AMEN1L3MBTL1LMNA
SCHEMBL12021080 0.81 HSD17B10 (0.44) HSD17B10SMN1; SMN2ALDH1A1KMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5686565-A ANTIINFLAMMATORY AGENTS SCIOS INC. (US) 1997-11-11 US disclosed
US-5552383-A ANALGESIC, ANTIINFLAMMATORY FOR WOUNDS SCIOS NOVA INC. (US) 1996-09-03 US disclosed