SCHEMBL23394808

SCHEMBL23394808

O=C(O)C1CC(C(=O)O)[C@@H](C(=O)O)[C@@H](C(=O)O)C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 5/20 0.50
CYP2C19 P33261 3/20 0.38
POLB P06746 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
GABRR2 P28476 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
ACE P12821 1/20 0.35
TSHR P16473 2/20 0.35
PMP22 Q01453 2/20 0.35
APLNR P35414 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35

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
SCHEMBL1817654 1.00 GABRR1 (0.50) GABRR1CYP2C19POLBTDP1GABRR2
SCHEMBL17049779 0.93 GABRR1 (0.44) GABRR1CYP2C19POLBTDP1GABRR2
SCHEMBL1963027 0.85 GABRR1 (0.58) GABRR1CYP2C19GABRR2CYP1A2CYP2D6
SCHEMBL6864216 0.85 GABRR1 (0.50) GABRR1CYP2C19POLBTDP1GABRR2
SCHEMBL3237860 0.84 GABRR1 (0.41) GABRR1CYP2C19POLBTDP1GABRR2
Hydrochloric Acid SCHEMBL2384923 0.82 GABRR1 (0.48) GABRR1CYP2C19POLBTDP1GABRR2
Hydrochloric Acid SCHEMBL3795818 0.82 GABRR1 (0.55) GABRR1CYP2C19GABRR2CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL2885177 0.82 GABRR1 (0.48) GABRR1CYP2C19POLBTDP1GABRR2
SCHEMBL2697233 0.79 GABRR1 (0.50) GABRR1CYP2C19POLBTDP1GABRR2
SCHEMBL9782991 0.79 GABRR1 (0.50) GABRR1CYP2C19POLBTDP1GABRR2

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-11014327-B2 Materials and method for joining fiber reinforced pipeline PALO ALTO RESEARCH CENTER INCORPORATED (US) 2021-05-25 US disclosed