SCHEMBL4653100

SCHEMBL4653100

CCCC(C)C(CCC)C(C)CCC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.39
TSHR P16473 1/20 0.38
OPRM1 P35372 1/20 0.30
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL22345154 0.87 METAP1 (0.36) METAP1TSHR
SCHEMBL4655251 0.84 DNM1 (0.39) METAP1TSHROPRM1TDP1
SCHEMBL4655238 0.83 TSHR (0.36) METAP1TSHR
SCHEMBL1093783 0.83 METAP1 (0.37) METAP1TSHR
SCHEMBL22027595 0.81 TSHR (0.44) METAP1TSHROPRM1CHRM1AKR1A1
SCHEMBL598768 0.81 TSHR (0.44) METAP1TSHROPRM1CHRM1AKR1A1
SCHEMBL4653002 0.80 METAP1 (0.36) METAP1TSHR
SCHEMBL14214447 0.78 METAP1 (0.31) METAP1
SCHEMBL20344527 0.76 METAP1 (0.39) METAP1OPRM1
SCHEMBL17607481 0.76 METAP1 (0.33) METAP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1986598-A1 UV FILTER CAPSULES COMPRISING AN AMINOSUBSTITUTED HYDROXYBENZOPHENONE Merck Patent GmbH (DE) 2008-11-05 EP disclosed
WO-2007093252-A1 UV FILTER CAPSULES COMPRISING AN AMINOSUBSTITUTED HYDROXYBENZOPHENONE MERCK PATENT GMBH (DE) 2007-08-23 WO disclosed