SCHEMBL22282146

SCHEMBL22282146

CC(C)SC(C)Cc1csc(C(C)C)c1

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL8225536 0.79 ALDH1A1 (0.36) ALDH1A1LMNAMAPTHPGDRAB9A
SCHEMBL26033043 0.72 TAAR1 (0.40) ALDH1A1MAPTHPGDKDM4EGAA
SCHEMBL22427662 0.71 ALDH1A1 (0.33) ALDH1A1LMNAMAPTHPGDRAB9A
SCHEMBL14448605 0.71 ALDH1A1 (0.34) ALDH1A1LMNAMAPTHPGDRAB9A
SCHEMBL28088963 0.68 ALDH1A1 (0.35) ALDH1A1LMNAMAPTHPGDRAB9A
SCHEMBL12394773 0.68 ALDH1A1 (0.35) ALDH1A1LMNAMAPTHPGDRAB9A
SCHEMBL19602925 0.68 ALDH1A1 (0.35) ALDH1A1LMNAMAPTHPGDRAB9A
SCHEMBL25738876 0.68 ESR1 (0.33) ALDH1A1LMNAMAPTHPGDRAB9A
SCHEMBL20665639 0.66 CA2 (0.40) ALDH1A1LMNAMAPTL3MBTL1
SCHEMBL23870329 0.66

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-2020154447-A1 MTORC MODULATORS AND USES THEREOF AEOVIAN PHARMACEUTICALS, INC. (US) 2020-07-30 WO disclosed