SCHEMBL11809602

SCHEMBL11809602

C=CCc1c(O)ccc(O)c1S(=O)(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.45
POLB P06746 2/20 0.45
XDH P47989 1/20 0.40
GABRA1 P14867 5/20 0.39
GABRB2 P47870 5/20 0.39
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 2/20 0.39
AKR1B1 P15121 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH2 P05091 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALOX5 P09917 2/20 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
SCHEMBL1838149 0.86 SRD5A1 (0.41) SRD5A1POLBXDHGABRA1GABRB2
SCHEMBL11655506 0.80 POLB (0.51) SRD5A1POLBXDHGABRA1GABRB2
SCHEMBL9706720 0.80 POLB (0.36) SRD5A1POLBXDHTDP1
SCHEMBL11809599 0.79 SRD5A1 (0.43) SRD5A1POLBXDHGABRA1GABRB2
SCHEMBL323547 0.77 XDH (0.54) SRD5A1POLBXDHGABRA1GABRB2
Hydrogen Sulfide SCHEMBL6721312 0.75 XDH (0.52) SRD5A1POLBXDHGABRA1GABRB2
SCHEMBL7114565 0.75 POLB (0.42) SRD5A1POLBXDHGABRA1GABRB2
SCHEMBL370628 0.75 GABRA1 (0.49) SRD5A1POLBGABRA1GABRB2ALDH1A1
Ammonia Solution, Strong SCHEMBL9440354 0.74 GABRA1 (0.47) SRD5A1POLBGABRA1GABRB2ALDH1A1
SCHEMBL8773429 0.73 POLB (0.33) SRD5A1POLBALDH1A1GAACNR2

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
US-4005220-A Hemostatic compositions comprising salts of substituted hydroquinone sulfonic acid LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1977-01-25 US disclosed