SCHEMBL24540469

SCHEMBL24540469

CC(C)[C@@H]1CC[C@@H](C)C[C@@]1(O)C(=O)NCCc1ccc(CO)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 5/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
CTSB P07858 4/20 0.35
TSHR P16473 2/20 0.35
POLB P06746 2/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2C19 P33261 1/20 0.34

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
SCHEMBL29112500 1.00 MEN1 (0.39) MEN1KMT2AALDH1A1HPGDMAPK1
SCHEMBL29112499 1.00 MEN1 (0.39) MEN1KMT2AALDH1A1HPGDMAPK1
SCHEMBL29112286 0.91 KDM4E (0.45) MEN1KMT2ACA12CA1CA2
SCHEMBL24540521 0.91 ALDH1A1 (0.46) MEN1KMT2AALDH1A1HPGDNPSR1
SCHEMBL29112470 0.91 GAA (0.44) MEN1KMT2AALDH1A1CTSBTSHR
SCHEMBL24540251 0.91 GAA (0.44) MEN1KMT2AALDH1A1CTSBTSHR
SCHEMBL24540726 0.91 KDM4E (0.45) MEN1KMT2ACA12CA1CA2
SCHEMBL29112288 0.91 KDM4E (0.45) MEN1KMT2ACA12CA1CA2
SCHEMBL29112469 0.91 GAA (0.44) MEN1KMT2AALDH1A1CTSBTSHR
SCHEMBL29112442 0.91 ALDH1A1 (0.46) MEN1KMT2AALDH1A1HPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4263493-A1 SUBSTITUTED CYCLOHEXANECARBOXAMIDES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION Sanofi (FR) 2023-10-25 EP disclosed
CN-116829532-A Substituted cyclohexane carboxamides, their preparation and their therapeutic use 赛诺菲 2023-09-29 CN disclosed
WO-2022133027-A1 SUBSTITUTED CYCLOHEXANECARBOXAMIDES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2022-06-23 WO disclosed
WO-2022133027-A1 SUBSTITUTED CYCLOHEXANECARBOXAMIDES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2022-06-23 WO disclosed