SCHEMBL10738587

SCHEMBL10738587

CCC(CC)C(=O)OOc1ccccc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ GRM4 Q14833 2/20 0.38
▸ HPGD P15428 3/20 0.36
▸ HTT P42858 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 7/20 0.36
▸ MEN1 O00255 6/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ LMNA P02545 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ PIN1 Q13526 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ TSHR P16473 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
SCHEMBL28855741 0.81 ALDH1A1 (0.44) ALDH1A1NPC1RAB9AEPHX2HPGD
SCHEMBL27942340 0.76 LMNA (0.42) ALDH1A1RAB9AHTTMAPTKMT2A
SCHEMBL3640380 0.76 TDP1 (0.41) ALDH1A1NPC1MAPTKMT2AMEN1
SCHEMBL10975745 0.75 MEN1 (0.39) ALDH1A1NPC1RAB9AGRM4HPGD
SCHEMBL447321 0.74 GRM4 (0.38) ALDH1A1NPC1RAB9AGRM4HPGD
SCHEMBL16756192 0.73 ALDH1A1 (0.46) ALDH1A1NPC1HPGDMAPTKMT2A
SCHEMBL28036322 0.72 GRM4 (0.42) ALDH1A1NPC1RAB9AGRM4HPGD
SCHEMBL27632858 0.72 KMT2A (0.43) ALDH1A1NPC1RAB9AGRM4HPGD
Hydrochloric Acid SCHEMBL29588080 0.72 ALDH1A1 (0.45) ALDH1A1NPC1HPGDMAPTKMT2A
SCHEMBL10738573 0.71 RAB9A (0.48) ALDH1A1NPC1RAB9AGRM4HPGD

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
US-4713486-A ANTIALLERGENS BEECHAM GROUP P.L.C. (GB) 1987-12-15 — — US disclosed
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