SCHEMBL9648583

SCHEMBL9648583

C=COC(=O)C(Br)CCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.43
TSHR P16473 7/20 0.39
HPGD P15428 1/20 0.34
LCK P06239 1/20 0.34
PPARD Q03181 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
TDP1 Q9NUW8 2/20 0.32
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
CYP3A4 P08684 3/20 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
SCHEMBL9402622 0.85 ZDHHC7 (0.64) ZDHHC7TSHRHPGDLCKPPARD
SCHEMBL2830342 0.83
SCHEMBL19105244 0.79 TSHR (0.37) TSHRHPGDTDP1CHRM1AKR1A1
SCHEMBL8026851 0.79 HDAC1 (0.44) TSHRHPGDTDP1CHRM1AKR1A1
SCHEMBL6910529 0.78 TSHR (0.36) TSHRHPGDTDP1CHRM1AKR1A1
SCHEMBL9894018 0.78 TSHR (0.36) TSHRHPGDTDP1CHRM1AKR1A1
SCHEMBL30791312 0.76 ZDHHC7 (0.50) ZDHHC7TSHRLCKPPARDZDHHC20
SCHEMBL9010895 0.76 TSHR (0.35) TSHRHPGDTDP1CHRM1AKR1A1
Ethane SCHEMBL20838520 0.76 SMN1; SMN2 (0.36) TSHRHPGDTDP1CHRM1AKR1A1
SCHEMBL9180810 0.76 CA2 (0.46) TSHRHPGDTDP1CHRM1AKR1A1

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-0294237-B1 NOVEL PEROXIDE MONOMER AND A POLYMER THEREFROM Nippon Paint Co., Ltd. (JP) 1992-11-25 EP disclosed
US-5070167-A NOVEL PEROXIDE MONOMER AND A POLYMER THEREFROM NIPPON PAINT CO., LTD. (JP) 1991-12-03 US disclosed
US-5011981-A Novel peroxide monomer and a polymer therefrom NIPPON PAINT CO., LTD. (JP) 1991-04-30 US disclosed
EP-0294237-A2 Novel peroxide monomer and a polymer therefrom Nippon Paint Co., Ltd. (JP) 1988-12-07 EP disclosed
US-4001156-A Method of producing epoxy group-containing, quaternary ammonium salt-containing resins PPG INDUSTRIES, INC. (US) 1977-01-04 US disclosed