SCHEMBL9803090

SCHEMBL9803090

CC(C)COc1ccccc1NC(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.61
▸ PTGS1 P23219 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ HTT P42858 2/20 0.55
▸ RXFP1 Q9HBX9 5/20 0.54
▸ LMNA P02545 1/20 0.53
▸ POLB P06746 1/20 0.52
▸ KCNK3 O14649 1/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ P2RX1 P51575 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ KCNQ3 O43525 1/20 0.50
▸ KCNQ2 O43526 1/20 0.50
▸ KCNE1 P15382 1/20 0.50
▸ KCNQ1 P51787 1/20 0.50
▸ KCNQ5 Q9NR82 1/20 0.50
▸ RAB9A P51151 1/20 0.49

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
SCHEMBL5184066 0.79 NPC1 (0.54) GAALMNAPOLBMEN1KMT2A
SCHEMBL38660470 0.78 MRGPRX4 (0.62) GAAPTGS1ALDH1A1HTTRXFP1
SCHEMBL13676821 0.76 KDM4E (0.48) GAAALDH1A1HTTLMNAPOLB
SCHEMBL21870341 0.76 GAA (1.00) GAAPTGS1ALDH1A1HTTRXFP1
SCHEMBL7344722 0.75 MAPT (0.58) GAAALDH1A1POLBMEN1KMT2A
SCHEMBL28633823 0.75 PTGS1 (0.72) GAAPTGS1NPSR1ALDH1A1HTT
SCHEMBL11868617 0.75 PTGS1 (0.72) GAAPTGS1ALDH1A1HTTRXFP1
SCHEMBL30136206 0.75 PTGS1 (0.72) GAAPTGS1NPSR1ALDH1A1HTT
SCHEMBL6431809 0.73 PYGM (0.59) GAAPTGS1ALDH1A1RXFP1LMNA
SCHEMBL12154445 0.73 NPSR1 (1.00) GAANPSR1ALDH1A1HTTLMNA

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
US-5075325-A Cardiovascular disorders SYNTHELABO (FR) 1991-12-24 — — US disclosed
US-5001159-A Hypotensive, antiulcer, antiischemic agents; migraines, asthma epilepsy, anticoagulants; cardiovasculat disorders SYNTHELABO (FR) 1991-03-19 — — US disclosed
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