SCHEMBL11222703

SCHEMBL11222703

CC(NC(=O)C=CC(=O)O)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.68
GAA P10253 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
EGLN3 Q9H6Z9 1/20 0.41
HCAR2 Q8TDS4 2/20 0.40
POLB P06746 1/20 0.39
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38

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
SCHEMBL10935338 1.00 ALDH1A1 (0.68) ALDH1A1GAASMN1; SMN2TAAR1TSHR
SCHEMBL4572573 1.00 ALDH1A1 (0.68) ALDH1A1GAASMN1; SMN2TAAR1TSHR
SCHEMBL4572574 1.00 ALDH1A1 (0.68) ALDH1A1GAASMN1; SMN2TAAR1TSHR
SCHEMBL9304167 0.82 SMN1; SMN2 (0.47) ALDH1A1GAASMN1; SMN2TSHRTP53
SCHEMBL9304164 0.82 SMN1; SMN2 (0.47) ALDH1A1GAASMN1; SMN2TSHRTP53
SCHEMBL9304160 0.82 SMN1; SMN2 (0.47) ALDH1A1GAASMN1; SMN2TSHRTP53
SCHEMBL10823780 0.81 GAA (1.00) ALDH1A1GAASMN1; SMN2TAAR1TSHR
SCHEMBL10823781 0.81 GAA (1.00) ALDH1A1GAASMN1; SMN2TAAR1TSHR
SCHEMBL14355649 0.81 GAA (1.00) ALDH1A1GAASMN1; SMN2TAAR1TSHR
SCHEMBL10536726 0.81 ALDH1A1 (0.61) ALDH1A1GAASMN1; SMN2TAAR1TSHR

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-4320173-A REINFORCEMENT AND ADHESIVES FOR VULCANIZED PRODUCTS MONSANTO COMPANY (US) 1982-03-16 US disclosed