SCHEMBL13618285

SCHEMBL13618285

CC(=O)Cc1cc(-c2cccc(C)c2)ccc1C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ICMT O60725 7/20 0.46
▸ HSD17B1 P14061 2/20 0.42
▸ HSD17B2 P37059 2/20 0.42
▸ LMNA P02545 2/20 0.41
▸ PPARG P37231 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ AKR1C2 P52895 1/20 0.39
▸ AKR1C1 Q04828 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ CNR1 P21554 1/20 0.38

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
SCHEMBL9969945 0.81 TAAR1 (0.48) —
SCHEMBL9860301 0.80 WNT3A (0.49) ICMTHSD17B1HSD17B2LMNAPPARG
SCHEMBL8263689 0.78 CTBP2 (0.49) ICMTHSD17B1HSD17B2PPARGPPARA
SCHEMBL3840860 0.76 PTGS1 (0.51) LMNADHODH
SCHEMBL19512828 0.75 PTGS1 (0.61) LMNA
Toluene SCHEMBL1159746 0.74 L3MBTL1 (0.41) LMNAALDH1A1
Toluene SCHEMBL8907280 0.74 L3MBTL1 (0.41) LMNAALDH1A1
Toluene SCHEMBL1079482 0.74 L3MBTL1 (0.41) LMNAALDH1A1
Toluene SCHEMBL8994440 0.74 L3MBTL1 (0.41) LMNAALDH1A1
SCHEMBL22425266 0.74 HSD17B10 (0.53) LMNAALDH1A1HDAC2

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
EP-1833816-B1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-11-11 — — EP disclosed
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