SCHEMBL9810263

SCHEMBL9810263

CCOC(=O)C1CCC(O)(c2ccc(OCC)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
PKM P14618 1/20 0.54
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
TSHR P16473 3/20 0.46
KCNH2 Q12809 2/20 0.44
LTA4H P09960 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL9810373 0.96 KMT2A (0.51) KMT2APKMALDH1A1KDM4EHPGD
SCHEMBL9810486 0.91 ALDH1A1 (0.49) KMT2APKMALDH1A1TSHRKCNH2
SCHEMBL9810611 0.91 KMT2A (0.46) KMT2APKMALDH1A1KDM4EHPGD
SCHEMBL9810478 0.91 ALDH1A1 (0.50) KMT2APKMALDH1A1KDM4EHPGD
SCHEMBL9810501 0.90 KMT2A (0.45) KMT2APKMALDH1A1KDM4EHPGD
SCHEMBL9810621 0.89 KMT2A (0.51) KMT2APKMALDH1A1HPGDLMNA
SCHEMBL9810531 0.89 GAA (0.51) KMT2AALDH1A1KDM4EMAPTTSHR
SCHEMBL9810498 0.89 ALDH1A1 (0.51) KMT2APKMALDH1A1TSHRKCNH2
SCHEMBL9810466 0.88 ALDH1A1 (0.52) KMT2AALDH1A1TSHRKCNH2LTA4H
SCHEMBL9810242 0.88 ALDH1A1 (0.47) KMT2APKMALDH1A1TSHRKCNH2

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