SCHEMBL11445117

SCHEMBL11445117

COC(=O)Cc1cccc(C(=O)c2ccc(Cl)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.47
▸ SLC7A5 Q01650 1/20 0.47
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ MRGPRX4 Q96LA9 1/20 0.45
▸ CNR2 P34972 1/20 0.44
▸ LOXL2 Q9Y4K0 1/20 0.43
▸ MAPT P10636 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42

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
SCHEMBL6115593 0.88 SLC7A5 (0.55) HPGDSLC7A5NPC1RAB9ALOXL2
SCHEMBL10421932 0.87 HSP90AB1 (0.50) HPGDSLC7A5RAB9ALOXL2MAPT
SCHEMBL11445035 0.82 L3MBTL1 (0.51) HPGDNPC1RAB9AMRGPRX4CNR2
SCHEMBL11541766 0.82 L3MBTL1 (0.47) HPGDNPC1RAB9AMRGPRX4CNR2
Hydrochloric Acid SCHEMBL11541768 0.81 L3MBTL1 (0.50) HPGDNPC1RAB9AMRGPRX4CNR2
SCHEMBL8990054 0.81 L3MBTL1 (0.46) NPC1RAB9AMRGPRX4CNR2MAPT
SCHEMBL968785 0.80 SLC7A5 (0.52) HPGDSLC7A5NPC1RAB9ALOXL2
SCHEMBL378633 0.80 SLC7A5 (0.55) HPGDSLC7A5SMN1; SMN2ALDH1A1MEN1
SCHEMBL8057216 0.79 SLC7A5 (0.57) HPGDSLC7A5NPC1RAB9ALOXL2
SCHEMBL30489978 0.79 SLC7A5 (0.57) SLC7A5RAB9AMRGPRX4LOXL2TP53

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-4192890-A Novel benzoylphenylacetic acid esters ROUSSEL UCLAF (FR) 1980-03-11 — — US disclosed
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