SCHEMBL7365210

SCHEMBL7365210

COC(=O)C(CC(C)C)NC(=O)OCC(O)CO

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 12/20 0.46
TAS1R1 Q7RTX1 12/20 0.46
MME P08473 2/20 0.44
BIRC2 Q13490 1/20 0.43
POLB P06746 1/20 0.43
FOLH1 Q04609 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL7365213 1.00 TAS1R3 (0.46) TAS1R3TAS1R1MMEBIRC2POLB
SCHEMBL7362044 0.87 ALDH1A1 (0.51) MMEFOLH1
SCHEMBL7362042 0.87 ALDH1A1 (0.51) MMEFOLH1
SCHEMBL19651554 0.84 CTSK (0.42) MME
SCHEMBL19651560 0.83 SMN1; SMN2 (0.44) TAS1R3TAS1R1MMESMN1; SMN2
SCHEMBL11434953 0.81 TAS1R3 (0.54) TAS1R3TAS1R1BIRC2POLBFOLH1
SCHEMBL7751184 0.81 TAS1R3 (0.54) TAS1R3TAS1R1BIRC2POLBFOLH1
SCHEMBL19651549 0.81 KDM4E (0.41) MMESMN1; SMN2
SCHEMBL19651542 0.79 LMNA (0.43) SMN1; SMN2
SCHEMBL7279383 0.79 FOLH1 (0.47) TAS1R3TAS1R1MMEBIRC2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0415981-A4 RETROVIRAL PROTEASE INHIBITORS 1991-10-09 EP disclosed
EP-0415981-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed
EP-0342541-A2 Retroviral protease inhibitors ABBOTT LABORATORIES (US) 1989-11-23 EP disclosed
WO-1989010752-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed