SCHEMBL28880329

SCHEMBL28880329

COc1c(Br)cccc1[C@@H](C)OC(=O)NC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.37
ALDH1A1 P00352 3/20 0.35
CYP2C9 P11712 3/20 0.34
CYP2C19 P33261 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
ALOX12 P18054 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CXCL8 P10145 1/20 0.33
HTT P42858 2/20 0.33

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
SCHEMBL27776368 0.85 HTT (0.42) ALDH1A1CYP2C9CYP2C19MEN1KMT2A
SCHEMBL28880397 0.84 NPC1 (0.35) LPAR1ALDH1A1CYP2C9CYP2C19LMNA
SCHEMBL28880435 0.81 ALDH1A1 (0.38) ALDH1A1MAPTLMNAL3MBTL1RAB9A
SCHEMBL28880510 0.79 HTT (0.39) LPAR1ALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL28880508 0.79 HTT (0.39) LPAR1ALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL28602971 0.76 MAPT (0.36) ALDH1A1MAPTLMNAHPGDL3MBTL1
SCHEMBL27725340 0.74 GAA (0.41) ALDH1A1CYP2C9LMNAMEN1KMT2A
SCHEMBL27725207 0.74 GAA (0.41) ALDH1A1CYP2C9LMNAMEN1KMT2A
SCHEMBL28880330 0.74 HTT (0.41) CYP2C9CYP2C19CYP1A2CYP3A4MAPT
SCHEMBL29163982 0.74 TAS2R14 (0.39) LPAR1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115135315-A SOS1 inhibitors 米拉蒂治疗股份有限公司 2022-09-30 CN disclosed