SCHEMBL6130023

SCHEMBL6130023

C=CC(CCC)OOC(=O)OOC(C=C)CCC

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 4/20 0.32
CYP3A4 P08684 2/20 0.31
NFKB1 P19838 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL6130025 0.86 SLC6A3 (0.35) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL649478 0.86 CHRM1 (0.31) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3790393 0.78 CHRM1 (0.31) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2850328 0.73 TSHR (0.36) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL10881602 0.72 TSHR (0.33) CHRM1AKR1A1CHRM3HTR2AHTR2C
Acrylic Acid SCHEMBL27998566 0.72 LMNA (0.40) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3966436 0.72 TSHR (0.42) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL4666561 0.72 LMNA (0.46) TDP1TSHRCYP3A4NPSR1HPGD
SCHEMBL37315 0.71 TSHR (0.30) TSHR
SCHEMBL10887229 0.71 SMN1; SMN2 (0.35) CHRM1AKR1A1CHRM3HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1278781-A4 RADIATION POLYMERISABLE COMPOSITIONS BALLINA PTY LTD (AU) 2005-01-26 EP disclosed
US-6767933-B2 CONTAINING CHARGE TRANSFER COMPOUND BALLINA PTY LTD (AU) 2004-07-27 US disclosed
US-20030073755-A1 Radiation polymerisable compositions BALLINA PTY. LTD. (AU) 2003-04-17 US disclosed
EP-1278781-A1 RADIATION POLYMERISABLE COMPOSITIONS Ballina Pty. Ltd. (AU) 2003-01-29 EP disclosed
WO-2001025288-A1 RADIATION POLYMERISABLE COMPOSITIONS BALLINA PTY LTD (AU) 2001-04-12 WO disclosed
US-5446073-A Photopolymerization process employing a charge transfer complex without a photoinitiator FUSION SYSTEMS CORPORATION (US) 1995-08-29 US disclosed