SCHEMBL1661781

SCHEMBL1661781

CC1(C)CC(C2C(=O)C(C)(C)NC(C)(C)C2=O)CC(C)(C)N1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.31
HSD17B10 Q99714 1/20 0.30
POLB P06746 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
SCHEMBL11453247 0.75 MAP3K14 (0.40) MAPK1ALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL4758990 0.71 RECQL (0.39) MAPK1ALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL4419232 0.68 MAPK1 (0.32) MAPK1ALDH1A1TSHRSMN1; SMN2GAA
SCHEMBL3828997 0.68 SMN1; SMN2 (0.34) MAPK1ALDH1A1TSHRSMN1; SMN2
SCHEMBL3134455 0.67 MAPK1 (0.31) MAPK1ALDH1A1TSHR
SCHEMBL15580399 0.65 ALDH1A1 (0.33) MAPK1ALDH1A1TSHRLMNA
SCHEMBL27500143 0.65 TSHR (0.33) MAPK1TSHR
SCHEMBL18125155 0.64 RECQL (0.40) ALDH1A1LMNAGAAPOLB
SCHEMBL21163422 0.64 RECQL (0.35) ALDH1A1LMNAPOLB
SCHEMBL13559125 0.64 RECQL (0.40) ALDH1A1LMNAGAAPOLB

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
EP-2483217-A2 INTERNALLY CURING CEMENT BASED MATERIALS Weyerhaeuser Nr Company (US) 2012-08-08 EP disclosed
WO-2011041291-A2 INTERNALLY CURING CEMENT BASED MATERIALS WEYERHAEUSER NR COMPANY (US) 2011-04-07 WO disclosed