SCHEMBL22793531

SCHEMBL22793531

C/C=C/CNC(=O)/C=C/[C@@H](CCOCc1ccccc1)[C@H](O)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FOLH1 Q04609 1/20 0.36
CTSB P07858 2/20 0.36
MAPT P10636 1/20 0.35
PPARA Q07869 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
FAAH O00519 1/20 0.34
MGLL Q99685 1/20 0.34
MMP3 P08254 2/20 0.34
MMP9 P14780 2/20 0.34
MMP8 P22894 2/20 0.34
HDAC3 O15379 1/20 0.34
MMP1 P03956 1/20 0.34
CYP2C19 P33261 1/20 0.33

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
SCHEMBL22793374 0.84 MAOB (0.39) HTTSMN1; SMN2FOLH1CTSBPPARA
SCHEMBL22793375 0.82 HCAR2 (0.41) HTTSMN1; SMN2FOLH1CTSBMAPT
SCHEMBL22793544 0.82 CTSL (0.43) HTTSMN1; SMN2FOLH1CTSBMAPT
SCHEMBL29051797 0.65 HTT (0.47) HTTSMN1; SMN2FOLH1CTSBMAPT
SCHEMBL2717727 0.64 TSHR (0.52) HTTSMN1; SMN2ALDH1A1CYP2C19
SCHEMBL4781157 0.64 TSHR (0.52) HTTSMN1; SMN2ALDH1A1CYP2C19
SCHEMBL20582042 0.64 TSHR (0.52) HTTSMN1; SMN2ALDH1A1CYP2C19
SCHEMBL20128491 0.64 CTSB (0.43) HTTSMN1; SMN2FOLH1CTSBMAPT
SCHEMBL20128499 0.64 CTSB (0.43) HTTSMN1; SMN2FOLH1CTSBMAPT
SCHEMBL22086824 0.64 HTT (0.46) HTTSMN1; SMN2FOLH1CTSBPPARA

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
WO-2020251953-A1 STREPTOGRAMIN COMPOSITIONS AND THE USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-12-17 WO disclosed