SCHEMBL9066296

SCHEMBL9066296

CCOC(=O)N[C@H]1C[C@@]2(C)CN(S(=O)(=O)c3ccc(C)cc3)C[C@@H]12

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KMT2A Q03164 4/20 0.47
LMNA P02545 3/20 0.47
MAPK1 P28482 1/20 0.42
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MMP2 P08253 1/20 0.41
RAB9A P51151 1/20 0.40

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
SCHEMBL9066298 1.00 ALDH1A1 (0.47) ALDH1A1KMT2ALMNAMAPK1TSHR
SCHEMBL9066958 0.81 PKM (0.43) ALDH1A1KMT2ALMNATSHR
SCHEMBL9067427 0.81 PKM (0.43) ALDH1A1KMT2ALMNATSHR
SCHEMBL9068004 0.76 PKM (0.45) ALDH1A1KMT2ATSHR
SCHEMBL9067095 0.74 PKM (0.45) ALDH1A1KMT2ALMNATSHR
SCHEMBL9066498 0.74 PKM (0.45) ALDH1A1KMT2ALMNATSHR
SCHEMBL9066560 0.74 PKM (0.45) ALDH1A1KMT2ALMNATSHR
SCHEMBL2991147 0.69 ALDH1A1 (0.55) ALDH1A1KMT2ALMNATSHRKDM4E
SCHEMBL7849121 0.65 GAA (0.47) ALDH1A1KMT2ATSHRMMP2
SCHEMBL504925 0.65 DPP4 (0.47) ALDH1A1KMT2ALMNATSHR

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-5527910-A BACTERICIDES; STAPHYLOCOCCUS, STREPTOCOCCUS INFECTIONS CHEIL FOODS & CHEMICALS, INC. (KR) 1996-06-18 US disclosed