SCHEMBL10439397

SCHEMBL10439397

O=C(O)C1CCc2cc(O)c(O)cc2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
NFKB1 P19838 1/20 0.53
THPO P40225 1/20 0.53
HIF1A Q16665 1/20 0.53
HSD17B10 Q99714 1/20 0.53
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
KDM4E B2RXH2 1/20 0.52
DRD2 P14416 1/20 0.49
DRD1 P21728 1/20 0.49
FYN P06241 2/20 0.42
CYP1A2 P05177 1/20 0.39
ADCY6 O43306 1/20 0.38
ADCY3 O60266 1/20 0.38
ADCY9 O60503 1/20 0.38
ADCY5 O95622 1/20 0.38
ADCY8 P40145 1/20 0.38
ADCY7 P51828 1/20 0.38
ADCY2 Q08462 1/20 0.38
ADCY1 Q08828 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
SCHEMBL346415 0.88 MAPT (0.42) MAPTNFKB1THPOHIF1AHSD17B10
SCHEMBL10556304 0.81 HSD17B1 (0.42) MAPTNFKB1THPOHIF1AHSD17B10
SCHEMBL16252317 0.80 OPRK1 (0.57) DRD2
SCHEMBL345292 0.80 DRD3 (0.57) MAPTDRD2
SCHEMBL345291 0.80 DRD3 (0.57) MAPTDRD2
SCHEMBL346833 0.80 OPRK1 (0.57) DRD2
SCHEMBL15431061 0.78 FAAH (0.36) CYP1A2TBXAS1
SCHEMBL10439103 0.76 CYP1A2 (0.43) MAPTHSD17B10ALDH1A1KDM4ECYP1A2
SCHEMBL24440190 0.75 HDAC8 (0.42) ALDH1A1CYP1A2
SCHEMBL4621176 0.75 BRD4 (0.44) CYP1A2

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-0399814-A2 Phenol derivatives for promoting human nerve growth factor Sankyo Company Limited (JP) 1990-11-28 EP disclosed