SCHEMBL7777893

SCHEMBL7777893

COC(=O)c1ccc(/C=C/c2ccccc2-c2cccc3ccccc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.56
NPC1 O15118 5/20 0.50
RAB9A P51151 4/20 0.50
PTPN1 P18031 1/20 0.50
ALDH1A1 P00352 4/20 0.49
MAPT P10636 4/20 0.49
HPGD P15428 3/20 0.49
HDAC8 Q9BY41 3/20 0.49
KDM4E B2RXH2 2/20 0.49
GLA P06280 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TP53 P04637 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.46
LMNA P02545 3/20 0.46
HDAC6 Q9UBN7 2/20 0.44

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
SCHEMBL7777898 1.00 BACE1 (0.56) BACE1NPC1RAB9APTPN1ALDH1A1
SCHEMBL7776413 0.84 BACE1 (0.57) BACE1NPC1RAB9AHDAC8KDM4E
SCHEMBL7776410 0.84 BACE1 (0.57) BACE1NPC1RAB9AHDAC8KDM4E
SCHEMBL7776788 0.82 KMT2A (0.47) BACE1NPC1RAB9APTPN1ALDH1A1
SCHEMBL7776792 0.82 KMT2A (0.47) BACE1NPC1RAB9APTPN1ALDH1A1
SCHEMBL6239748 0.81 EGFR (0.52) BACE1NPC1RAB9APTPN1ALDH1A1
SCHEMBL6239739 0.81 EGFR (0.52) BACE1NPC1RAB9APTPN1ALDH1A1
SCHEMBL8734899 0.81 RAB9A (0.48) BACE1NPC1RAB9APTPN1ALDH1A1
SCHEMBL7774941 0.80 BACE1 (0.58) BACE1NPC1RAB9APTPN1ALDH1A1
SCHEMBL7774938 0.80 BACE1 (0.58) BACE1NPC1RAB9APTPN1ALDH1A1

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