SCHEMBL29964397

SCHEMBL29964397

CC(=O)O[C@@H](C)CCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM1 P11229 1/20 0.48
TBXA2R P21731 1/20 0.48
GABRP O00591 2/20 0.48
GABRD O14764 2/20 0.48
GABRA1 P14867 2/20 0.48
GABRB1 P18505 2/20 0.48
GABRG2 P18507 2/20 0.48
GABRB3 P28472 2/20 0.48
GABRA5 P31644 2/20 0.48
GABRA3 P34903 2/20 0.48
GABRA2 P47869 2/20 0.48
GABRB2 P47870 2/20 0.48
GABRA4 P48169 2/20 0.48
GABRE P78334 2/20 0.48
GABRA6 Q16445 2/20 0.48
GABRG1 Q8N1C3 2/20 0.48
GABRG3 Q99928 2/20 0.48

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
SCHEMBL1711788 1.00 TSHR (0.48) TSHRCHRM2CHRM4CHRM1TBXA2R
Hydrochloric Acid SCHEMBL8989068 0.98 TSHR (0.47) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL4312997 0.87 TSHR (0.45) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL8891074 0.87 TSHR (0.45) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL18994011 0.84 FFAR4 (0.47) TSHRALOX15LMNA
SCHEMBL10599208 0.84 FFAR4 (0.47) TSHRALOX15LMNA
SCHEMBL10793944 0.83 TSHR (0.58) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL10804192 0.83 TSHR (0.58) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL10796086 0.83 TSHR (0.58) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL12060077 0.83 TSHR (0.45) TSHRCHRM2CHRM4CHRM1TBXA2R

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
EP-4092127-A1 ENZYME-CATALYTIC METHOD FOR THE DIRECT STEREOSELECTIVE SYNTHESIS OF GAMMA-(ACYLOXY) CARBOXYLIC ACIDS Tallinn University of Technology (EE) 2022-11-23 EP disclosed