SCHEMBL1339975

SCHEMBL1339975

C[C@H](NNc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.55
ALOX5 P09917 2/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.44
CTSD P07339 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PTGS2 P35354 1/20 0.44
NAPRT Q6XQN6 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.42
EPHX2 P34913 1/20 0.42

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
SCHEMBL27405771 1.00 GAA (0.55) GAAALOX5CYP3A4TSHRSMN1; SMN2
SCHEMBL21635117 0.81 MTOR (0.50) GAATSHRSMN1; SMN2ALDH1A1MEN1
SCHEMBL1331551 0.78 TDP1 (0.56) GAACYP3A4TSHRSMN1; SMN2ALDH1A1
SCHEMBL1330911 0.78 TDP1 (0.56) GAACYP3A4TSHRSMN1; SMN2ALDH1A1
SCHEMBL1531678 0.78 TDP1 (0.56) GAACYP3A4TSHRSMN1; SMN2ALDH1A1
SCHEMBL33928 0.78 TDP1 (0.56) GAACYP3A4TSHRSMN1; SMN2ALDH1A1
SCHEMBL33927 0.78 TDP1 (0.56) GAACYP3A4TSHRSMN1; SMN2ALDH1A1
SCHEMBL28705330 0.77 KMT2A (0.50) GAASMN1; SMN2ALDH1A1MAPTMEN1
Methane SCHEMBL6442579 0.77 TDP1 (0.54) GAACYP3A4TSHRSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL10424136 0.77 TDP1 (0.54) GAACYP3A4TSHRSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8062899-B1 Identification and quantitative determination of major chemical contaminants associated with L-Tryptophan NHK Laboratories, Inc. (US) 2011-11-22 US claimed
US-8062899-B1 Identification and quantitative determination of major chemical contaminants associated with L-Tryptophan NHK Laboratories, Inc. (US) 2011-11-22 US disclosed