SCHEMBL13543299

SCHEMBL13543299

CC(C)(C)C(=O)C[C@H](O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.52
▸ LMNA P02545 3/20 0.50
▸ HSD11B1 P28845 1/20 0.44
▸ BCAT2 O15382 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ AOC3 Q16853 4/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ TRPM8 Q7Z2W7 1/20 0.41

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
SCHEMBL20747091 1.00 RIPK1 (0.52) RIPK1LMNAHSD11B1BCAT2KDM4E
SCHEMBL13543291 1.00 RIPK1 (0.52) RIPK1LMNAHSD11B1BCAT2KDM4E
SCHEMBL14519738 0.84 LMNA (0.49) RIPK1LMNAHSD11B1HPGDMAPT
SCHEMBL6073420 0.79 HSD11B1 (0.43) HSD11B1SMN1; SMN2MAPT
SCHEMBL11379648 0.79 CES2 (0.44) RIPK1LMNAHSD11B1KDM4EL3MBTL1
SCHEMBL14350508 0.78 RIPK1 (0.53) RIPK1LMNABCAT2KDM4EL3MBTL1
SCHEMBL9222957 0.78 MAPT (0.64) HSD11B1KDM4ESMN1; SMN2MAPT
SCHEMBL12338077 0.78 LMNA (0.56) RIPK1LMNABCAT2KDM4EL3MBTL1
SCHEMBL6441268 0.78 LMNA (0.56) RIPK1LMNABCAT2KDM4EL3MBTL1
SCHEMBL6991 0.78 LMNA (0.56) RIPK1LMNABCAT2KDM4EL3MBTL1

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-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 — — US disclosed
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