SCHEMBL11269844

SCHEMBL11269844

[CH2]c1cccc(C2CO2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
PARP1 P09874 1/20 0.50
HTR1A P08908 2/20 0.36
DRD3 P35462 4/20 0.35
ADRA2A P08913 3/20 0.35
CHRM2 P08172 2/20 0.35
DRD2 P14416 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
GSTO1 P78417 2/20 0.33
HTR2B P41595 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ADRA1A P35348 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 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
SCHEMBL46283 0.84 TSHR (0.67) TSHRPARP1HTR1ADRD3ADRA2A
SCHEMBL21974861 0.84 TSHR (0.67) TSHRPARP1HTR1ADRD3ADRA2A
SCHEMBL5852993 0.78 TSHR (0.54) TSHRPARP1HTR2BTAAR1
SCHEMBL938854 0.78 TSHR (0.54) TSHRPARP1HTR2BTAAR1
SCHEMBL16412704 0.78 TSHR (0.54) TSHRPARP1HTR2BTAAR1
SCHEMBL25831541 0.78 TSHR (0.54) TSHRPARP1HTR2BTAAR1
SCHEMBL4356953 0.77 MEN1 (0.36) TSHRHTR1ADRD3DRD2TAAR1
SCHEMBL25261475 0.74 TSHR (0.54) TSHRPARP1HTR1ADRD3ADRA2A
SCHEMBL7784351 0.74 TSHR (0.54) TSHRPARP1DRD3DRD2HTR2B
SCHEMBL937187 0.74 TSHR (0.54) TSHRPARP1HTR2BTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4352938-A ADHESION OF POLYPROPYLENE TO GLASS FIBERS OR TIRE CORDS TO RUBBER HERCULES INCORPORATED (US) 1982-10-05 US disclosed
US-3971743-A CROSSLINKING POLYMERS HERCULES INCORPORATED (US) 1976-07-27 US disclosed
US-3971627-A MODIFIED POLYESTER, POLYAMIDE, POLYCARBONATE, POLYOLEFIN OR RAYON TIRE CORD HERCULES INCORPORATED (US) 1976-07-27 US disclosed
US-3941751-A Epoxy-azido compounds HERCULES INCORPORATED (US) 1976-03-02 US disclosed