SCHEMBL10991726

SCHEMBL10991726

CCOC(=O)CCN(c1nc(SCC)ncc1C(=O)OCC)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ SMN1; SMN2 Q16637 9/20 0.42
▸ RAB9A P51151 6/20 0.42
▸ NPC1 O15118 6/20 0.42
▸ NFKB1 P19838 2/20 0.42
▸ NFKB2 Q00653 2/20 0.42
▸ RELA Q04206 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ LMNA P02545 3/20 0.41
▸ MAPT P10636 6/20 0.40
▸ TSHR P16473 2/20 0.40
▸ RECQL P46063 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 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
SCHEMBL3531655 0.87 MEN1 (0.50) ALDH1A1HSD17B10MAPK1SMN1; SMN2NPC1
SCHEMBL3291033 0.86 MEN1 (0.49) ALDH1A1HSD17B10MAPK1SMN1; SMN2NPC1
SCHEMBL10993583 0.84 ALDH1A1 (0.39) ALDH1A1HSD17B10MAPK1SMN1; SMN2RAB9A
SCHEMBL10997335 0.80 MAPT (0.46) ALDH1A1MAPK1SMN1; SMN2RAB9ANPC1
SCHEMBL4778131 0.79 MEN1 (0.43) ALDH1A1HSD17B10MAPK1SMN1; SMN2RAB9A
SCHEMBL3525725 0.76 MEN1 (0.46) ALDH1A1HSD17B10MAPK1SMN1; SMN2NFKB1
SCHEMBL9955978 0.74 MEN1 (0.51) ALDH1A1HSD17B10MAPK1SMN1; SMN2RAB9A
SCHEMBL9097586 0.73 TSHR (0.42) ALDH1A1HSD17B10NPC1L3MBTL1MEN1
SCHEMBL12556585 0.73 MEN1 (0.51) ALDH1A1HSD17B10MAPK1SMN1; SMN2NPC1
SCHEMBL2908655 0.72 RAB9A (0.56) ALDH1A1HSD17B10MAPK1SMN1; SMN2RAB9A

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-4556709-A BACTERICIDES, FEED ADDITIVES BAYER AKTIENGESELLSCHAFT (DE) 1985-12-03 — — US disclosed
Send feedback