SCHEMBL30003816

SCHEMBL30003816

[O-][S+]1Cc2ccc(O)cc2C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.40
ESR2 Q92731 8/20 0.40
DRD2 P14416 4/20 0.38
DRD3 P35462 2/20 0.38
DRD1 P21728 2/20 0.38
DRD5 P21918 1/20 0.38
OPRK1 P41145 1/20 0.37
PBRM1 Q86U86 1/20 0.36
DRD4 P21917 1/20 0.36
PDK2 Q15119 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HSD17B1 P14061 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
PRKCI P41743 1/20 0.34

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
SCHEMBL19023663 1.00 ESR1 (0.40) ESR1ESR2DRD2DRD3DRD1
SCHEMBL15186909 0.77 HTR2C (0.42)
SCHEMBL21559859 0.74
SCHEMBL22271460 0.73 MAPT (0.41) PDK2HSD17B10
SCHEMBL17190970 0.73 METAP1 (0.37)
SCHEMBL29002714 0.72 CYP3A4 (0.41) ESR1ESR2DRD2DRD3DRD4
SCHEMBL255960 0.69 TSHR (0.38) MAOAMAOB
SCHEMBL11603388 0.69 DRD2 (0.42) ESR1ESR2DRD2DRD3DRD1
SCHEMBL3938438 0.69 DRD2 (0.42) ESR1ESR2DRD2DRD3DRD1
SCHEMBL14317167 0.67 DRD1 (0.61) ESR1ESR2DRD2DRD3DRD1

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
CN-111527574-B Dispersion composition for producing solid electrolytic capacitor and method for producing solid electrolytic capacitor 昭和电工株式会社 2022-12-09 CN disclosed