SCHEMBL6130025

SCHEMBL6130025

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.35
CHRM1 P11229 1/20 0.35
AKR1A1 P14550 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 3/20 0.31
NFKB1 P19838 2/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
BLM P54132 1/20 0.31
MEN1 O00255 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 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
SCHEMBL6130023 0.86 CHRM1 (0.32) SLC6A3CHRM1AKR1A1CHRM3HTR2A
SCHEMBL649478 0.85 CHRM1 (0.31) SLC6A3CHRM1AKR1A1CHRM3HTR2A
SCHEMBL3790399 0.79 CHRM1 (0.34) SLC6A3CHRM1AKR1A1CHRM3HTR2A
Acrylic Acid SCHEMBL27998566 0.74 LMNA (0.40) SLC6A3CHRM1AKR1A1CHRM3HTR2A
SCHEMBL9545026 0.73 SLC6A3 (0.35) SLC6A3CHRM1AKR1A1CHRM3HTR2A
SCHEMBL2850328 0.72 TSHR (0.36) SLC6A3CHRM1AKR1A1CHRM3HTR2A
SCHEMBL3966436 0.71 TSHR (0.42) SLC6A3CHRM1AKR1A1CHRM3HTR2A
SCHEMBL10881602 0.71 TSHR (0.33) SLC6A3CHRM1AKR1A1CHRM3HTR2A
SCHEMBL10810256 0.70 TSHR (0.40) SLC6A3CHRM1AKR1A1CHRM3HTR2A
SCHEMBL4666561 0.70 LMNA (0.46) TDP1TSHRBLMMEN1KMT2A

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