SCHEMBL6904987

SCHEMBL6904987

CCCNCCC.O=S(=O)(O)c1ccccc1

nearest known ligand 0.61

Known targets — ChEMBL curated mechanism

BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 known ✓ P14416 1/20 0.46
HTR2A known ✓ P28223 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.61
TSHR P16473 2/20 0.61
PSIP1 O75475 1/20 0.47
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
CYP2D6 P10635 1/20 0.44
LMNA P02545 1/20 0.44
PKM P14618 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
Butane SCHEMBL2906063 0.86 TSHR (0.76) SMN1; SMN2TSHRPSIP1CA1CA2
Diethylamine SCHEMBL5874415 0.84 SMN1; SMN2 (0.67) SMN1; SMN2TSHRPSIP1CA1CA2
Propane SCHEMBL28882618 0.83 TSHR (0.80) SMN1; SMN2TSHRPSIP1CA1CA2
SCHEMBL8009507 0.83 SMN1; SMN2 (0.50) SMN1; SMN2TSHRDRD2DRD4DRD3
SCHEMBL6667980 0.83 CA2 (0.50) SMN1; SMN2TSHRCA1CA2MMP1
Diethanolamine SCHEMBL5874579 0.82 SMN1; SMN2 (0.64) SMN1; SMN2TSHRCA1CA2MMP1
Hexane SCHEMBL27501792 0.82 TSHR (0.70) SMN1; SMN2TSHRPSIP1MMP1MMP13
Propanol SCHEMBL28732212 0.82 TSHR (0.70) SMN1; SMN2TSHRPSIP1CA1CA2
SCHEMBL6736149 0.82 SMN1; SMN2 (0.70) SMN1; SMN2TSHRPSIP1CA1CA2
Alcohol SCHEMBL281881 0.81 TSHR (0.76) SMN1; SMN2TSHRPSIP1CA1CA2

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-0736574-B1 Thermoplastic resin composition comprising carbonate and acrylic resin GEN ELECTRIC (US) 2004-06-02 EP disclosed
US-6103827-A A TRANSPARENT THERMOPLASTIC RESIN BLENDS GENERAL ELECTRIC COMPANY (US) 2000-08-15 US disclosed
US-5883194-A RADIATION TRANSPARENT THERMOPLASTIC RESINS OF CARBONATE AND ESTER BLENDS WITH ACRYLATE RESINS AND CATALYSTS GENERAL ELECTRIC COMPANY (US) 1999-03-16 US disclosed
CN-1141935-A Thermoplastic resin composition GEN ELECTRICS CORP (US) 1997-02-05 CN disclosed
EP-0736574-A2 Thermoplastic resin composition comprising carbonate and acrylic resin GENERAL ELECTRIC COMPANY (US) 1996-10-09 EP disclosed