SCHEMBL9494071

SCHEMBL9494071

O=C(O)C1CC(C(=O)O)C(C(=O)O)C1C(=O)O.O=C(O)C1CCC(C(=O)O)C(C(=O)O)C1C(=O)O

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 5/20 0.46
POLB P06746 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
APEX1 P27695 2/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
PMP22 Q01453 2/20 0.42
GMNN O75496 1/20 0.42
TFPI2 P48307 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
THPO P40225 1/20 0.42
SLC1A2 P43004 4/20 0.39
SLC1A1 P43005 2/20 0.39
GABRR2 P28476 1/20 0.39
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GRM8 O00222 1/20 0.36
GRM6 O15303 1/20 0.36

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
SCHEMBL770971 0.94 GABRR1 (0.50) GABRR1POLBTDP1APEX1KDM4E
SCHEMBL503468 0.94 GABRR1 (0.50) GABRR1POLBTDP1APEX1KDM4E
SCHEMBL2697233 0.94 GABRR1 (0.50) GABRR1POLBTDP1APEX1KDM4E
SCHEMBL9782998 0.94 GABRR1 (0.50) GABRR1POLBTDP1APEX1KDM4E
SCHEMBL8628131 0.94 GABRR1 (0.50) GABRR1POLBTDP1APEX1KDM4E
SCHEMBL722221 0.94 GABRR1 (0.50) GABRR1POLBTDP1APEX1KDM4E
SCHEMBL9782991 0.94 GABRR1 (0.50) GABRR1POLBTDP1APEX1KDM4E
SCHEMBL22039 0.94 GABRR1 (0.50) GABRR1POLBTDP1APEX1KDM4E
SCHEMBL13084744 0.94 GABRR1 (0.50) GABRR1POLBTDP1APEX1KDM4E
SCHEMBL2696513 0.94 GABRR1 (0.50) GABRR1POLBTDP1APEX1KDM4E

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-5217642-A Water soluble; detergent additives BASF AKTIENGESELLSCHAFT (DE) 1993-06-08 US disclosed