SCHEMBL9360865

SCHEMBL9360865

COC(=O)[C@H](CC(C)C)NC(=O)C(=O)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 10/20 0.50
TAS1R1 Q7RTX1 10/20 0.50
BIRC2 Q13490 1/20 0.48
POLB P06746 1/20 0.48
FOLH1 Q04609 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43

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
SCHEMBL14520538 0.86 PPID (0.47) TAS1R3TAS1R1BIRC2POLB
SCHEMBL14163020 0.81 BIRC2 (0.58) TAS1R3TAS1R1BIRC2POLBFOLH1
SCHEMBL9364701 0.81 ALDH1A1 (0.62) FOLH1
SCHEMBL17208365 0.81 BIRC2 (0.58) TAS1R3TAS1R1BIRC2POLBFOLH1
SCHEMBL7098405 0.80 TAS1R3 (0.49) TAS1R3TAS1R1BIRC2POLBFOLH1
SCHEMBL27412717 0.80 TAS1R3 (0.49) TAS1R3TAS1R1BIRC2POLBFOLH1
SCHEMBL9361228 0.80 BIRC2 (0.50) TAS1R3TAS1R1BIRC2POLBFOLH1
SCHEMBL2462316 0.80 ITGB1 (0.43) TAS1R3TAS1R1
SCHEMBL15450546 0.79 TAS1R3 (0.51) TAS1R3TAS1R1BIRC2POLBFOLH1
SCHEMBL23616324 0.79 TAS1R3 (0.58) TAS1R3TAS1R1BIRC2POLBFOLH1

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-0400499-B1 Medicine containing acylaminoacid derivatives and dietetic products KALI CHEMIE AG (DE) 1994-04-06 EP disclosed
US-5089492-A For nitrogen metabolism disturbances KALI-CHEMIE AG (DE) 1992-02-18 US disclosed
EP-0400499-A2 Medicine containing acylaminoacid derivatives and dietetic products Kali-Chemie Aktiengesellschaft (DE) 1990-12-05 EP disclosed