SCHEMBL9770197

SCHEMBL9770197

c1ccc(OCC2COc3ccc4ccccc4c3O2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
CYP19A1 P11511 1/20 0.41
FFAR1 O14842 3/20 0.40
HPGD P15428 2/20 0.40
HTR1A P08908 1/20 0.39
F2 P00734 4/20 0.39
F10 P00742 4/20 0.39
ITGB3 P05106 4/20 0.39
PRSS1 P07477 4/20 0.39
PRSS2 P07478 4/20 0.39
ITGA2B P08514 4/20 0.39
PRSS3 P35030 4/20 0.39
GRM2 Q14416 1/20 0.39
ADRA1D P25100 3/20 0.38
ADRA1A P35348 3/20 0.38
ADRA1B P35368 3/20 0.38
DRD4 P21917 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 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
SCHEMBL9507937 0.79 CYP19A1 (0.43) CYP19A1HTR1AADRA1DADRA1AADRA1B
SCHEMBL9507945 0.79 CYP19A1 (0.43) CYP19A1HTR1AALDH1A1SMN1; SMN2
SCHEMBL8123944 0.79 CYP19A1 (0.43) CYP19A1HPGDHTR1AALDH1A1
Hydrochloric Acid SCHEMBL8131705 0.75 HTR6 (0.47) CYP19A1HPGDHTR1AADRA1DADRA1A
SCHEMBL8127358 0.74 LMNA (0.44) CYP19A1HTR1AALDH1A1CYP3A4TSHR
SCHEMBL17281014 0.72 TDP1 (0.54) TDP1FFAR1HPGDHTR1AF2
SCHEMBL9439756 0.72 HPGD (0.57) TDP1FFAR1HPGDHTR1AADRA1D
SCHEMBL5917922 0.72 FFAR1 (0.60) TDP1FFAR1HPGDF2F10
SCHEMBL5918000 0.72 FFAR1 (0.60) TDP1FFAR1HPGDF2F10
SCHEMBL1324044 0.71 TDP1 (0.61) TDP1FFAR1HPGDGRM2ALDH1A1

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
US-4981836-A Recording material FUJI PHOTO FILM CO., LTD. (JP) 1991-01-01 US disclosed
US-4835133-A Recording material FUJI PHOTO FILM CO., LTD. (JP) 1989-05-30 US disclosed