SCHEMBL9810474

SCHEMBL9810474

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 2/20 0.41
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSP90AA1 P07900 1/20 0.39
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.38
MEN1 O00255 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
SCHEMBL9810611 0.96 KMT2A (0.46) KMT2APKMTSHRALDH1A1KDM4E
SCHEMBL9810496 0.94 KMT2A (0.43) KMT2APKMTSHRALDH1A1KDM4E
SCHEMBL9810643 0.94 TSHR (0.47) KMT2ATSHRALDH1A1HSP90AA1ACACB
SCHEMBL9810449 0.93 MEN1 (0.46) KMT2ATSHRALDH1A1HSP90AA1ACACB
SCHEMBL9810558 0.92 RARB (0.43) KMT2APKMTSHRALDH1A1KDM4E
SCHEMBL9810373 0.92 KMT2A (0.51) KMT2APKMTSHRALDH1A1KDM4E
SCHEMBL9810469 0.91 RARB (0.44) KMT2APKMTSHRALDH1A1HSP90AA1
SCHEMBL9810257 0.91 RARB (0.44) KMT2APKMTSHRALDH1A1HSP90AA1
SCHEMBL9810537 0.91 RARB (0.44) KMT2APKMTSHRALDH1A1HSP90AA1
SCHEMBL9810362 0.91 RARB (0.46) KMT2ATSHRALDH1A1HSP90AA1MEN1

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