SCHEMBL11247971

SCHEMBL11247971

CC(CCCOc1ccccc1)c1cc(O)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
KCNA3 P22001 1/20 0.42
ADRB2 P07550 1/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 1/20 0.39
TYR P14679 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RECQL P46063 1/20 0.39
LTA4H P09960 2/20 0.38
HTR1B P28222 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
CYP19A1 P11511 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37

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
SCHEMBL11246869 0.93 DRD3 (0.41) TDP1DRD2DRD4DRD3KCNA3
SCHEMBL11249677 0.79 IGF1R (0.46) DRD3ADRB2LMNATYR
SCHEMBL11251540 0.78 IGF1R (0.49)
SCHEMBL11184119 0.78 TDP1 (0.47) TDP1DRD2DRD4DRD3KCNA3
SCHEMBL10532360 0.77 RORC (0.45) TDP1ADRB2LMNATYRALDH1A1
SCHEMBL8861378 0.75 TYR (0.45) TDP1ADRB2LMNATYRALDH1A1
SCHEMBL10898519 0.74 RORC (0.46) LMNATYRALDH1A1
SCHEMBL8639228 0.74 TYR (0.47) TDP1LMNATYRALDH1A1GPR84
SCHEMBL11095669 0.74 TYR (0.47) TDP1LMNATYRALDH1A1GPR84
SCHEMBL4354699 0.74 TYR (0.47) TDP1LMNATYRALDH1A1GPR84

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-0009386-B1 2,10-DISUBSTITUTED DIBENZO(B,D)PYRANS AND BENZO(C)QUINOLINES AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER INC. (US) 1982-11-17 EP disclosed
US-4206225-A ANALGESICS PFIZER INC. (US) 1980-06-03 US disclosed