SCHEMBL28151972

SCHEMBL28151972

COC(=O)Nc1ccccc1CC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 5/20 0.45
▸ MTNR1B P49286 5/20 0.45
▸ NR1H4 Q96RI1 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ CFD P00746 1/20 0.41
▸ HPGD P15428 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TSHR P16473 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
SCHEMBL1162987 0.81 NR1H4 (0.58) NR1H4LMNAPOLB
SCHEMBL30619395 0.81 NR1H4 (0.58) NR1H4LMNAPOLB
SCHEMBL9863289 0.81 MTNR1A (0.52) MTNR1AMTNR1BALDH1A1MEN1NPC1
SCHEMBL194382 0.80 NR1H4 (0.56) NR1H4
SCHEMBL27668540 0.79 LMNA (0.46) NR1H4LMNAPOLBALDH1A1TSHR
SCHEMBL9706872 0.79 LMNA (0.46) NR1H4LMNAPOLBALDH1A1TSHR
SCHEMBL13980716 0.78 POLB (0.50) LMNAPOLBALDH1A1MAPTMEN1
SCHEMBL29991524 0.78 POLB (0.50) LMNAPOLBALDH1A1MAPTMEN1
SCHEMBL18295333 0.78 LMNA (0.45) NR1H4LMNAPOLBALDH1A1MAPT
SCHEMBL27816499 0.78 LMNA (0.45) NR1H4LMNAPOLBALDH1A1TSHR

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
CN-103304551-B Hepatitis AG14361 北京凯因科技股份有限公司 2017-06-13 — — CN disclosed
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