SCHEMBL6240409

SCHEMBL6240409

O=Cc1ccccc1-c1ccccc1OCO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 1/20 0.53
PTGDR2 Q9Y5Y4 1/20 0.49
DRD2 P14416 1/20 0.45
DRD1 P21728 1/20 0.45
DRD4 P21917 1/20 0.45
DRD5 P21918 1/20 0.45
DRD3 P35462 1/20 0.45
SRC P12931 2/20 0.43
LMNA P02545 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
ERN1 O75460 3/20 0.40
CTSL P07711 1/20 0.40

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
SCHEMBL4354861 0.85 ALDH1A1 (0.73) ALDH1A1HTTSMN1; SMN2HPGDPTGDR2
SCHEMBL18617549 0.82 TDP1 (0.46) ALDH1A1HTTSMN1; SMN2DRD2DRD1
SCHEMBL3825898 0.79 ALDH1A1 (0.50) ALDH1A1HTTSMN1; SMN2HPGDPTGDR2
SCHEMBL10913527 0.76 ALDH1A1 (0.46) ALDH1A1HTTSMN1; SMN2HPGDPTGDR2
SCHEMBL5481438 0.76 ALDH1A1 (0.54) ALDH1A1HTTSMN1; SMN2HPGDPTGDR2
SCHEMBL31175932 0.76 KMT2A (0.71) ALDH1A1HTTSMN1; SMN2HPGDPTGDR2
SCHEMBL2474418 0.76 ERN1 (0.57) ALDH1A1HTTSMN1; SMN2HPGDSRC
SCHEMBL249552 0.76 KMT2A (0.71) ALDH1A1HTTSMN1; SMN2HPGDPTGDR2
SCHEMBL5030438 0.75 ALDH1A1 (0.48) ALDH1A1HTTSMN1; SMN2HPGDPTGDR2
SCHEMBL8622754 0.74 ALDH1A1 (0.45) ALDH1A1HTTSMN1; SMN2HPGDPTGDR2

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-1017354-B1 TRANSLUCENT WEAR RESISTANT DENTAL ENAMEL MATERIAL AND METHOD DENTSPLY INT INC (US) 2005-07-06 EP disclosed
US-6391940-B1 PHOTOPOLYMERIZABLE ACRYLATED COMPOUND DENTSPLY RESEARCH & DEVELOPMENT CORP. 2002-05-21 US disclosed
US-6262142-B1 USEFUL IN MAKING ARTIFICIAL TOOTH ENAMEL, INLAYS, ONLAYS AND VENEERS DENTSPLY RESEARCH & DEVELOPMENT 2001-07-17 US disclosed
EP-1017354-A1 TRANSLUCENT WEAR RESISTANT DENTAL ENAMEL MATERIAL AND METHOD Dentsply International, Inc. (US) 2000-07-12 EP disclosed
WO-2000003688-A1 TRANSLUCENT WEAR RESISTANT DENTAL ENAMEL MATERIAL AND METHOD DENTSPLY INTERNATIONAL INC. (US) 2000-01-27 WO disclosed