SCHEMBL10941125

SCHEMBL10941125

CC(C)C(C)NC(=O)/C=C\C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.68
ALDH1A1 P00352 2/20 0.68
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
GABRA4 P48169 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
SCHEMBL10941133 1.00 GAA (0.68) GAAALDH1A1TAAR1TSHRTP53
SCHEMBL14355649 0.81 GAA (1.00) GAAALDH1A1TAAR1TSHRTP53
SCHEMBL10823781 0.81 GAA (1.00) GAAALDH1A1TAAR1TSHRTP53
SCHEMBL10823780 0.81 GAA (1.00) GAAALDH1A1TAAR1TSHRTP53
SCHEMBL11222703 0.77 ALDH1A1 (0.68) GAAALDH1A1TAAR1TSHRTP53
SCHEMBL10935338 0.77 ALDH1A1 (0.68) GAAALDH1A1TAAR1TSHRTP53
SCHEMBL4572574 0.77 ALDH1A1 (0.68) GAAALDH1A1TAAR1TSHRTP53
SCHEMBL7153160 0.77 GAA (0.68) GAAALDH1A1TAAR1TSHRTP53
SCHEMBL7153151 0.77 GAA (0.68) GAAALDH1A1TAAR1TSHRTP53
SCHEMBL4572573 0.77 ALDH1A1 (0.68) GAAALDH1A1TAAR1TSHRTP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0080451-B1 METHOD AND COMPOSITION FOR DIENE RUBBER TREATMENT MONSANTO COMPANY (US) 1985-09-18 EP disclosed
US-4433114-A SULFUR OR ORGANOSULFUR COMPOUNDS, MALEAMIC ACID OR DERIVATIVES, TACKINESS, GREEN STRENGTH MONSANTO COMPANY (US) 1984-02-21 US disclosed
EP-0080451-A1 Method and composition for diene rubber treatment MONSANTO COMPANY (US) 1983-06-01 EP disclosed