SCHEMBL11824924

SCHEMBL11824924

[CH2]CC(=O)c1ccc(C)cc1C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.53
NPC1 O15118 7/20 0.48
RAB9A P51151 7/20 0.48
SMN1; SMN2 Q16637 5/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
NFE2L2 Q16236 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42

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
SCHEMBL581464 0.82 HSD11B1 (0.54) HSD11B1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL2648128 0.82 HSD11B1 (0.54) HSD11B1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL8744712 0.80 HSD11B1 (0.53) HSD11B1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL8420333 0.80 RAB9A (0.56) HSD11B1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL30016132 0.80 GSK3B (0.59) HSD11B1NPC1RAB9ASMN1; SMN2HTT
Methyl Alcohol SCHEMBL28304029 0.80 HSD11B1 (0.53) HSD11B1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL1434608 0.80 GSK3B (0.59) HSD11B1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL5569924 0.78 MEN1 (0.51) HSD11B1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL9352393 0.78 HSD11B1 (0.55) HSD11B1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL9274995 0.78 RAB9A (0.53) HSD11B1NPC1RAB9ASMN1; SMN2HTT

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-4000275-A BENZIMIDAZO(2,1-B) QUINAZOLIN-12(6H)ONES ELI LILLY AND COMPANY (US) 1976-12-28 US disclosed