SCHEMBL9680975

SCHEMBL9680975

COc1ccccc1-c1c(C)cccc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
TDP1 Q9NUW8 2/20 0.55
ADRA2B P18089 1/20 0.55
PTGS1 P23219 1/20 0.55
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ADORA2A P29274 2/20 0.49
FGB P02675 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
MAPK1 P28482 1/20 0.49
PPARG P37231 1/20 0.49
RAB9A P51151 1/20 0.49
NCOA2 Q15596 1/20 0.49
NCOA1 Q15788 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
APP P05067 1/20 0.48
KDM4E B2RXH2 2/20 0.47

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
SCHEMBL1133437 0.88 APP (0.55) ALDH1A1TDP1ADRA2BPTGS1MEN1
SCHEMBL5451198 0.85 ALDH1A1 (0.55) ALDH1A1TDP1ADRA2BPTGS1MEN1
SCHEMBL2233191 0.85 APP (0.52) ALDH1A1TDP1ADRA2BPTGS1MEN1
SCHEMBL2939502 0.82 MEN1 (0.54) ALDH1A1TDP1ADRA2BPTGS1MEN1
SCHEMBL3786465 0.81 ALDH1A1 (0.59) ALDH1A1TDP1ADRA2BPTGS1MEN1
SCHEMBL19802148 0.80 APP (0.47) ALDH1A1TDP1MEN1KMT2ARAB9A
SCHEMBL9678804 0.80 CYP3A4 (0.54) ALDH1A1TDP1ADORA2ARAB9ASMN1; SMN2
SCHEMBL3794845 0.80 ALDH1A1 (0.55) ALDH1A1TDP1ADORA2ASMN1; SMN2KDM4E
SCHEMBL18837747 0.80 HSD11B1 (0.47) ALDH1A1TDP1DPP4CYP3A4
SCHEMBL397261 0.79 ALDH1A1 (0.61) ALDH1A1TDP1ADRA2BPTGS1MEN1

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-5153226-A Administering as anticholesterol agents, for atherosclerosis WARNER-LAMBERT COMPANY (US) 1992-10-06 US disclosed