SCHEMBL24324037

SCHEMBL24324037

C[C@@H](N[C@H](CC1(C)CC1)C(=O)O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.45
MME P08473 1/20 0.43
ACP3 P15309 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
RECQL P46063 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
SCHEMBL24323662 0.89 OPRK1 (0.41) APAF1MMEACP3MEN1KMT2A
SCHEMBL29600239 0.89 OPRK1 (0.41) APAF1MMEACP3MEN1KMT2A
SCHEMBL25362932 0.81 MEN1 (0.42) APAF1MMEMEN1KMT2A
SCHEMBL24298266 0.81 MEN1 (0.42) APAF1MMEMEN1KMT2A
SCHEMBL652495 0.78 MEN1 (0.56) APAF1MMEACP3MEN1KMT2A
SCHEMBL24324589 0.78 SIGMAR1 (0.45) APAF1MMEACP3MEN1KMT2A
SCHEMBL17530041 0.76 MMP9 (0.55) APAF1MMEPOLBCTDSP1
SCHEMBL11774297 0.76 APAF1 (0.51) APAF1ACP3MEN1KMT2AHPGD
SCHEMBL7620487 0.76 APAF1 (0.56) APAF1MMEACP3MEN1KMT2A
SCHEMBL7944349 0.76 APAF1 (0.56) APAF1MMEACP3MEN1KMT2A

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 6 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
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