SCHEMBL30488180

SCHEMBL30488180

CCCC1c2ccccc2CC1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
SHBG P04278 1/20 0.37
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
F2 P00734 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
DRD3 P35462 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36

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
SCHEMBL18094421 0.77 ALDH1A1 (0.43) ALDH1A1MTNR1AMTNR1BMEN1CYP1A2
SCHEMBL28691534 0.76 KDM1A (0.41) SHBGSIGMAR1DRD3
SCHEMBL24821527 0.76 SHBG (0.41) SHBGSIGMAR1DRD3OPRM1
SCHEMBL18094419 0.75 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AHDAC3HDAC4
SCHEMBL9860338 0.74 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AHDAC3HDAC4
SCHEMBL30587724 0.74 ALDH1A1 (0.35) ALDH1A1MTNR1AMTNR1BMEN1CYP1A2
SCHEMBL4286040 0.74 KDM1A (0.42) ALDH1A1GAASIGMAR1
SCHEMBL4283036 0.74 ALDH1A1 (0.41) ALDH1A1GAAKMT2ASIGMAR1HDAC4
SCHEMBL4286038 0.74 ALDH1A1 (0.41) ALDH1A1GAAKMT2ASIGMAR1HDAC4
SCHEMBL4283038 0.74 KDM1A (0.42) ALDH1A1GAASIGMAR1

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-2023107630-A2 AMINO ALCOHOL COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO disclosed