SCHEMBL24540251

SCHEMBL24540251

CC(C)[C@@H]1CC[C@@H](C)C[C@@]1(O)C(=O)NCCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CTSB P07858 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
TSHR P16473 2/20 0.42
P2RX7 Q99572 1/20 0.42
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
TAAR1 Q96RJ0 2/20 0.41
EPHX1 P07099 1/20 0.41

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
SCHEMBL29112469 1.00 GAA (0.44) GAACYP2C19MEN1KMT2ACTSB
SCHEMBL29112470 1.00 GAA (0.44) GAACYP2C19MEN1KMT2ACTSB
SCHEMBL29112442 0.91 ALDH1A1 (0.46) GAAMEN1KMT2ANPC1RAB9A
SCHEMBL24540726 0.91 KDM4E (0.45) GAACYP2C19MEN1KMT2ACTSB
SCHEMBL29112286 0.91 KDM4E (0.45) GAACYP2C19MEN1KMT2ACTSB
SCHEMBL24540469 0.91 MEN1 (0.39) GAACYP2C19MEN1KMT2ACTSB
SCHEMBL24540521 0.91 ALDH1A1 (0.46) GAAMEN1KMT2ANPC1RAB9A
SCHEMBL29112500 0.91 MEN1 (0.39) GAACYP2C19MEN1KMT2ACTSB
SCHEMBL29112288 0.91 KDM4E (0.45) GAACYP2C19MEN1KMT2ACTSB
SCHEMBL29112499 0.91 MEN1 (0.39) GAACYP2C19MEN1KMT2ACTSB

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