SCHEMBL7360985

SCHEMBL7360985

COc1ccc(CC2C(C=O)OC(C)(C)N2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 5/20 0.37
TP53 P04637 4/20 0.37
GLA P06280 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
THRB P10828 1/20 0.35
CTSD P07339 1/20 0.35
CTSE P14091 1/20 0.35
BACE1 P56817 1/20 0.35
TLR9 Q9NR96 1/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C19 P33261 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
STS P08842 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL2175304 0.89 KLK7 (0.40) MAPTSMN1; SMN2ALDH1A1CYP3A4HPGD
SCHEMBL2175307 0.89 KLK7 (0.40) MAPTSMN1; SMN2ALDH1A1CYP3A4HPGD
SCHEMBL7962411 0.89 KLK7 (0.40) MAPTSMN1; SMN2ALDH1A1CYP3A4HPGD
SCHEMBL5833363 0.89 KLK7 (0.40) MAPTSMN1; SMN2ALDH1A1CYP3A4HPGD
SCHEMBL9842023 0.86 LMNA (0.38) MAPTLMNASMN1; SMN2ALDH1A1TP53
SCHEMBL7270587 0.81 KLK7 (0.41) MAPTSMN1; SMN2ALDH1A1CYP3A4HPGD
SCHEMBL7270189 0.79 KLK7 (0.38) MAPTSMN1; SMN2ALDH1A1CYP3A4HPGD
SCHEMBL7279530 0.79 KLK7 (0.38) MAPTSMN1; SMN2ALDH1A1CYP3A4HPGD
SCHEMBL7270193 0.79 KLK7 (0.38) MAPTSMN1; SMN2ALDH1A1CYP3A4HPGD
SCHEMBL7279540 0.79 KLK7 (0.38) MAPTSMN1; SMN2ALDH1A1CYP3A4HPGD

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-0415981-A4 RETROVIRAL PROTEASE INHIBITORS 1991-10-09 EP disclosed
EP-0415981-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed
WO-1989010752-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed