SCHEMBL22748664

SCHEMBL22748664

COC(=O)c1ccn(CCO)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 4/20 0.44
CYP4F2 P78329 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 1/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
PKM P14618 1/20 0.39

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
SCHEMBL22748662 0.87 CYP4A11 (0.49) CYP4A11CYP4F2MEN1KMT2ATSHR
SCHEMBL6900171 0.86 RAF1 (0.44) MEN1KMT2ATSHRCA1CA2
SCHEMBL24852823 0.85 LOXL2 (0.42) MEN1KMT2ATSHRCA1CA2
SCHEMBL21570198 0.83 MEN1 (0.47) MEN1KMT2ATSHRCA1CA2
SCHEMBL25352235 0.82 TSHR (0.44) MEN1KMT2ATSHRCA1CA2
SCHEMBL4565650 0.82 TSHR (0.44) CYP4A11MEN1KMT2ATSHRCA1
SCHEMBL22308326 0.82 CNR1 (0.41) CYP4A11CYP4F2MEN1KMT2ATSHR
SCHEMBL21570208 0.81 POLB (0.44) MEN1KMT2ATSHRMAPTPOLB
SCHEMBL22748687 0.81 CNR1 (0.52) MAPTPOLB
SCHEMBL21576309 0.81 KMT2A (0.42) CYP4A11MEN1KMT2ATSHRMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114907389-A Boronic acid derivatives 首药控股(北京)股份有限公司 2022-08-16 CN disclosed
WO-2020245291-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS ALMIRALL, S.A. (ES) 2020-12-10 WO disclosed