SCHEMBL6434903

SCHEMBL6434903

C=C1CCCC(c2ccccc2OCOC)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.41
HTR1D P28221 2/20 0.40
HTR1B P28222 2/20 0.40
ADRA1A P35348 2/20 0.39
ADRA1D P25100 1/20 0.39
HTR1A P08908 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
ADRA2A P08913 1/20 0.38
CYP2D6 P10635 1/20 0.38
CHRM1 P11229 1/20 0.38
CYP2C9 P11712 1/20 0.38
DRD1 P21728 1/20 0.38
TBXA2R P21731 1/20 0.38
PTGS1 P23219 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL6434408 0.83 ROR1 (0.35) PTGDR2MEN1KMT2A
SCHEMBL10323522 0.82 PTGDR2 (0.53) PTGDR2HTR1DHTR1BADRA1AADRA1D
SCHEMBL7208759 0.74 PTGDR2 (0.44) PTGDR2HTR1DHTR1BADRA1AADRA1D
SCHEMBL824116 0.68 HTR2C (0.53) ADRA1AADRA1DUSP2DRD2MEN1
SCHEMBL34463201 0.68 HTR2C (0.53) ADRA1AADRA1DUSP2DRD2MEN1
SCHEMBL6433011 0.68 ROR1 (0.39) PTGDR2MEN1KMT2A
SCHEMBL4753995 0.67 ALDH1A1 (0.41) ADRA1AADRA1DHTR1ADRD3DRD2
SCHEMBL21821532 0.67 CA1 (0.46) KMT2ASIGMAR1
SCHEMBL7209700 0.67 HTR1D (0.42) PTGDR2HTR1DHTR1BADRA1AADRA1D
SCHEMBL10632525 0.66 PTGDR2 (0.59) PTGDR2HTR1DHTR1BADRA1AADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165495-B1 RESORCINOL DERIVATIVES PFIZER (US) 2005-04-20 EP disclosed