SCHEMBL7850850

SCHEMBL7850850

CCOC(CNc1cccc(C)c1C)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.43
▸ MAPT P10636 6/20 0.43
▸ TP53 P04637 3/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ NLRP3 Q96P20 1/20 0.42
▸ KEAP1 Q14145 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.39
▸ HTT P42858 3/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ RAPGEF4 Q8WZA2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CDKN1A P38936 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
SCHEMBL248759 0.75 L3MBTL1 (0.44) GAAKMT2AALDH1A1LMNAMEN1
SCHEMBL13745534 0.75 GAA (0.44) GAAMAPTTP53MAPK1HSD17B10
SCHEMBL23520609 0.75 KMT2A (0.37) MAPTKMT2AALDH1A1HPGDMEN1
SCHEMBL1122539 0.74 MAPT (0.53) GAAMAPTTP53MAPK1HSD17B10
SCHEMBL11174233 0.74 MAPT (0.50) GAAMAPTTP53MAPK1HSD17B10
SCHEMBL11171569 0.74 MAPT (0.46) GAAMAPTTP53MAPK1HSD17B10
SCHEMBL5608579 0.73 HTT (0.51) GAAMAPTHSD17B10CYP3A4NLRP3
SCHEMBL11169978 0.72 MAPT (0.45) GAAMAPTTP53MAPK1HSD17B10
SCHEMBL27895396 0.72 TSHR (0.50) GAAHSD17B10NLRP3ALDH1A1HPGD
SCHEMBL11170519 0.72 MAPT (0.67) GAAMAPTTP53MAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891350-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-01-17 — — EP disclosed
EP-0891350-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 — — EP disclosed
US-5859012-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-01-12 — — US disclosed
WO-1997036889-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 — — WO disclosed
Send feedback