SCHEMBL27325972

SCHEMBL27325972

CC[C@H]1C[C@@H](NC(=O)OC)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
F2R P25116 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
PYGB P11216 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
G6PD P11413 1/20 0.32
GLA P06280 1/20 0.32
EPHX1 P07099 3/20 0.31
BTK Q06187 1/20 0.31
JAK1 P23458 1/20 0.31

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
SCHEMBL14853201 0.86 KMT2A (0.39) TSHRMAPTMEN1NPC1RAB9A
SCHEMBL12424435 0.86 KMT2A (0.39) TSHRMAPTMEN1NPC1RAB9A
SCHEMBL15373215 0.86 KMT2A (0.39) TSHRMAPTMEN1NPC1RAB9A
SCHEMBL24974001 0.84 NFKB1 (0.42) ALDH1A1MAPTGLAEPHX1
SCHEMBL16133589 0.82 KMT2A (0.47) TSHRMAPTMEN1NPC1RAB9A
SCHEMBL5949738 0.82 KMT2A (0.47) TSHRMAPTMEN1NPC1RAB9A
SCHEMBL20233119 0.81 BTK (0.51) ALDH1A1KMT2AEPHX1BTK
SCHEMBL25957596 0.81 BTK (0.51) ALDH1A1KMT2AEPHX1BTK
SCHEMBL12424476 0.81 BTK (0.51) ALDH1A1KMT2AEPHX1BTK
SCHEMBL14631213 0.80 ALDH1A1 (0.33) ALDH1A1EPHX1

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
WO-2024123966-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS THIRD HARMONIC BIO, INC. (US) 2024-06-13 WO disclosed
WO-2024124002-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS THIRD HARMONIC BIO, INC. (US) 2024-06-13 WO disclosed