SCHEMBL9810496

SCHEMBL9810496

CCCCOC(=O)C1CCC(O)(c2ccc(-c3ccc(OCC)cc3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
PKM P14618 1/20 0.42
RARB P10826 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 5/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 1/20 0.39
HSP90AA1 P07900 1/20 0.39
KCNH2 Q12809 2/20 0.39
HRH3 Q9Y5N1 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 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
SCHEMBL9810558 0.98 RARB (0.43) KMT2AMEN1PKMRARBL3MBTL1
SCHEMBL9810537 0.97 RARB (0.44) KMT2AMEN1PKMRARBALDH1A1
SCHEMBL9810257 0.97 RARB (0.44) KMT2AMEN1PKMRARBALDH1A1
SCHEMBL9810469 0.97 RARB (0.44) KMT2AMEN1PKMRARBALDH1A1
SCHEMBL9810501 0.96 KMT2A (0.45) KMT2AMEN1PKML3MBTL1ALDH1A1
SCHEMBL9810436 0.95 MEN1 (0.47) KMT2AMEN1RARBALDH1A1TSHR
SCHEMBL9810378 0.94 KMT2A (0.43) KMT2AMEN1PKML3MBTL1ALDH1A1
SCHEMBL9810474 0.94 KMT2A (0.43) KMT2AMEN1PKML3MBTL1ALDH1A1
SCHEMBL9810465 0.93 RARB (0.47) KMT2AMEN1RARBALDH1A1TSHR
SCHEMBL9810630 0.93 RARB (0.47) KMT2AMEN1RARBALDH1A1TSHR

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-5068389-A TERTIARY ALCOHOLS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-11-26 US disclosed