SCHEMBL9782984

SCHEMBL9782984

O=C(O)C1[C@@H](C(=O)O)[C@H](C(=O)O)C[C@@H](C(=O)O)[C@H]1C(=O)O

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 5/20 0.48
POLB P06746 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
GABRR2 P28476 1/20 0.40
LMNA P02545 5/20 0.38
PMP22 Q01453 3/20 0.38
APEX1 P27695 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TSHR P16473 2/20 0.38
GMNN O75496 1/20 0.38
TFPI2 P48307 1/20 0.38
TP53 P04637 1/20 0.38
NFKB1 P19838 1/20 0.38
THPO P40225 1/20 0.38
CYP2C19 P33261 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2C9 P11712 1/20 0.37
GRM8 O00222 1/20 0.37
GRM6 O15303 1/20 0.37

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
SCHEMBL16062666 1.00 GABRR1 (0.48) GABRR1POLBTDP1GABRR2LMNA
SCHEMBL338158 1.00 GABRR1 (0.48) GABRR1POLBTDP1GABRR2LMNA
SCHEMBL9782988 1.00 GABRR1 (0.48) GABRR1POLBTDP1GABRR2LMNA
SCHEMBL8628131 0.97 GABRR1 (0.50) GABRR1POLBTDP1GABRR2LMNA
SCHEMBL22039 0.97 GABRR1 (0.50) GABRR1POLBTDP1GABRR2LMNA
SCHEMBL2697233 0.97 GABRR1 (0.50) GABRR1POLBTDP1GABRR2LMNA
SCHEMBL770971 0.97 GABRR1 (0.50) GABRR1POLBTDP1GABRR2LMNA
SCHEMBL9782991 0.97 GABRR1 (0.50) GABRR1POLBTDP1GABRR2LMNA
SCHEMBL13084744 0.97 GABRR1 (0.50) GABRR1POLBTDP1GABRR2LMNA
SCHEMBL503468 0.97 GABRR1 (0.50) GABRR1POLBTDP1GABRR2LMNA

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-5042986-A Wrinkle resistant cellulosic textiles THE DOW CHEMICAL COMPANY (US) 1991-08-27 US disclosed