SCHEMBL8333338

SCHEMBL8333338

Cc1ccc(C(=O)c2ccc(C(=O)c3ccc(CC=O)cc3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
LMNA P02545 2/20 0.64
SRD5A2 P31213 2/20 0.59
HTT P42858 3/20 0.47
PKM P14618 2/20 0.47
ATM Q13315 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
NLRP1 Q9C000 1/20 0.47
MEN1 O00255 1/20 0.47
NTSR1 P30989 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GSK3B P49841 1/20 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
SCHEMBL28101173 0.85 IDO1 (0.48) ALDH1A1LMNATDP1MAPTMAOB
SCHEMBL29443 0.85 IDO1 (0.48) ALDH1A1LMNATDP1MAPTMAOB
SCHEMBL8329694 0.85 ALDH1A1 (0.59) ALDH1A1LMNASRD5A2HTTPKM
SCHEMBL27275726 0.83 IDO1 (0.46) ALDH1A1LMNATDP1MAPTMAOB
SCHEMBL4327902 0.82 ALDH1A1 (0.58) ALDH1A1LMNASRD5A2HTTATM
SCHEMBL11893040 0.81 SRD5A2 (0.85) ALDH1A1LMNASRD5A2HTTPKM
SCHEMBL10727688 0.81 SRD5A2 (0.85) ALDH1A1LMNASRD5A2HTTPKM
Acetaldehyde SCHEMBL27507154 0.81 IDO1 (0.44) ALDH1A1LMNATDP1MAPTMAOB
SCHEMBL27475875 0.80 ALDH1A1 (0.53) ALDH1A1LMNASRD5A2HTTPKM
SCHEMBL52200 0.80 ALDH1A1 (1.00) ALDH1A1LMNASRD5A2HTTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0871436-A4 USE OF Stat 6 SH2 DOMAIN SPECIFIC COMPOUNDS TO TREAT ALLERGIC REACTIONS SMITHKLINE BEECHAM CORP (US) 1999-10-20 EP disclosed
EP-0809490-A4 USE OF LCK SH2 SPECIFIC COMPOUNDS TO TREAT AUTOIMMUNE DISEASES AND ALLOGRAFT REJECTION SMITHKLINE BEECHAM CORP (US) 1999-10-20 EP disclosed
EP-0835104-A4 USE OF STAT 5 SH2 DOMAIN SPECIFIC COMPOUNDS TO ENHANCE ERYTHROPOIESIS SMITHKLINE BEECHAM CORP (US) 1999-10-20 EP disclosed
EP-0871436-A1 USE OF Stat 6 SH2 DOMAIN SPECIFIC COMPOUNDS TO TREAT ALLERGIC REACTIONS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-21 EP disclosed
EP-0835104-A1 USE OF STAT 5 SH2 DOMAIN SPECIFIC COMPOUNDS TO ENHANCE ERYTHROPOIESIS SMITHKLINE BEECHAM CORPORATION (US) 1998-04-15 EP disclosed
EP-0809490-A1 USE OF LCK SH2 SPECIFIC COMPOUNDS TO TREAT AUTOIMMUNE DISEASES AND ALLOGRAFT REJECTION SMITHKLINE BEECHAM CORPORATION (US) 1997-12-03 EP disclosed
WO-1997002023-A1 USE OF Stat 6 SH2 DOMAIN SPECIFIC COMPOUNDS TO TREAT ALLERGIC REACTIONS SMITHKLINE BEECHAM CORPORATION (US) 1997-01-23 WO disclosed
WO-1997002024-A1 USE OF STAT 5 SH2 DOMAIN SPECIFIC COMPOUNDS TO ENHANCE ERYTHROPOIESIS SMITHKLINE BEECHAM CORPORATION (US) 1997-01-23 WO disclosed
CN-1135333-A Usage of SRCSH2 specific compound for treatment of bone absorption disease SMITHKLINE BEECHAM CORP (US) 1996-11-13 CN disclosed
EP-0728482-A2 Use of hcp specific compounds to enhance erythropoiesis SMITHKLINE BEECHAM CORPORATION (US) 1996-08-28 EP disclosed
EP-0727211-A1 Use of src SH2 specific compounds to treat a bone resorption disease SMITHKLINE BEECHAM CORPORATION (US) 1996-08-21 EP disclosed
WO-1996024343-A1 USE OF LCK SH2 SPECIFIC COMPOUNDS TO TREAT AUTOIMMUNE DISEASES AND ALLOGRAFT REJECTION SMITHKLINE BEECHAM CORPORATION (US) 1996-08-15 WO disclosed