SCHEMBL1339748

SCHEMBL1339748

C[C@@](N)(Nc1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 6/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 3/20 0.43
TP53 P04637 2/20 0.43
HPGD P15428 2/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
CYP2C19 P33261 1/20 0.43
PDK1 Q15118 2/20 0.42
PDK2 Q15119 2/20 0.42
PDK3 Q15120 2/20 0.42
PDK4 Q16654 2/20 0.42
TSHR P16473 2/20 0.41
EPHX1 P07099 1/20 0.41
EPHX2 P34913 1/20 0.41
CDK9 P50750 1/20 0.41

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
SCHEMBL296522 0.82 MDM2 (0.44) NAPRTMAPTRAB9AHPGDLMNA
SCHEMBL296132 0.81 NPC1 (0.50) SMN1; SMN2RAB9ANPC1LMNACDK5
SCHEMBL29396801 0.81 NPC1 (0.50) SMN1; SMN2RAB9ANPC1LMNACDK5
SCHEMBL5514973 0.78 NAPRT (0.46) NAPRTHSD17B10MAPTSMN1; SMN2RAB9A
SCHEMBL1646972 0.78 NAPRT (0.46) NAPRTHSD17B10MAPTSMN1; SMN2RAB9A
SCHEMBL27472867 0.77 GAA (0.45) HSD17B10MAPTRAB9ATP53HPGD
SCHEMBL23629736 0.77 NAPRT (0.45) NAPRTHSD17B10MAPTSMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL8791650 0.77 NAPRT (0.45) NAPRTHSD17B10MAPTSMN1; SMN2RAB9A
SCHEMBL27554730 0.77 PDK1 (0.47) NAPRTHSD17B10MAPTSMN1; SMN2RAB9A
SCHEMBL3697578 0.76 PDK1 (0.41) NAPRTHSD17B10MAPTSMN1; SMN2TP53

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