SCHEMBL7770347

SCHEMBL7770347

COC(=O)c1ccc(/C=C/c2ccc(NCc3ccccc3)cc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.83
CA2 P00918 3/20 0.83
HIF1A Q16665 2/20 0.56
RAB9A P51151 3/20 0.56
NPC1 O15118 2/20 0.56
ALDH1A1 P00352 2/20 0.56
HPGD P15428 1/20 0.56
AGTR1 P30556 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KMT2A Q03164 2/20 0.54
HTT P42858 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
POLB P06746 1/20 0.51
ALOX5 P09917 1/20 0.51
FFAR1 O14842 1/20 0.51
MAOB P27338 1/20 0.50
HDAC3 O15379 1/20 0.50

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
SCHEMBL18415526 0.91 CA1 (1.00) CA1CA2HIF1ARAB9ANPC1
SCHEMBL6120695 0.85 CA1 (0.88) CA1CA2HIF1ARAB9ANPC1
SCHEMBL7770345 0.84 CA1 (0.59) CA1CA2RAB9ANPC1KMT2A
SCHEMBL13934091 0.83 CA1 (0.87) CA1CA2HIF1ARAB9ANPC1
SCHEMBL521421 0.82 TSHR (0.67) CA1CA2RAB9ANPC1ALDH1A1
SCHEMBL521422 0.82 TSHR (0.67) CA1CA2RAB9ANPC1ALDH1A1
SCHEMBL17158407 0.81 CA1 (0.80) CA1CA2HIF1ARAB9ANPC1
SCHEMBL14043997 0.81 POLB (0.54) CA1CA2HIF1ARAB9ANPC1
SCHEMBL20183802 0.81 CA1 (0.80) CA1CA2HIF1ARAB9ANPC1
SCHEMBL29245141 0.80 CA1 (0.77) CA1CA2RAB9ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0809622-B1 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS INC (US) 2001-08-29 EP disclosed
EP-0809622-A4 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS NOVA INC (US) 1998-07-08 EP disclosed
EP-0809622-A1 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS NOVA INC. (US) 1997-12-03 EP disclosed
WO-1996025383-A1 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS NOVA INC. (US) 1996-08-22 WO disclosed
US-5530157-A NON-STEROID ANTIINFLAMMATORY DRUG SCIOS NOVA INC. (US) 1996-06-25 US disclosed