SCHEMBL24324182

SCHEMBL24324182

CC1(C)CC(C(CO)NCc2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.40
POLB P06746 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
EPHX2 P34913 3/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX12 P18054 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FUCA1 P04066 2/20 0.36
HPGD P15428 1/20 0.36
ACP3 P15309 1/20 0.36
APEX1 P27695 1/20 0.35
MAPK1 P28482 1/20 0.35
P2RX7 Q99572 1/20 0.35

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
SCHEMBL26125032 0.82 SIGMAR1 (0.42) SIGMAR1POLBALDH1A1HPGDACP3
SCHEMBL27308031 0.80 HPGD (0.45) SIGMAR1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL21362848 0.78 HPGD (0.48) KMT2AEPHX2ALDH1A1SMN1; SMN2ALOX12
SCHEMBL24324633 0.78 HPGD (0.41) SIGMAR1POLBKMT2AMEN1EPHX2
SCHEMBL8644471 0.76 GBA1 (0.44) SIGMAR1
SCHEMBL16726956 0.76 USP2 (0.38) SIGMAR1POLBKMT2AMEN1ALDH1A1
SCHEMBL24324626 0.75 SIGMAR1 (0.39) SIGMAR1POLBKMT2AMEN1EPHX2
SCHEMBL6987664 0.73 SIGMAR1 (0.39) SIGMAR1POLB
SCHEMBL24324590 0.68 SIGMAR1 (0.41) SIGMAR1POLBALDH1A1SMN1; SMN2ALOX12
SCHEMBL27308033 0.68 HPGD (0.53) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4504739-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2025-02-12 EP disclosed
WO-2023196429-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-12 WO disclosed
WO-2023196429-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-12 WO disclosed
EP-4225765-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
CN-116601158-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-08-15 CN disclosed
WO-2022076622-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
WO-2022076622-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed