SCHEMBL10794885

SCHEMBL10794885

CCC(C)Oc1ccc(OCC(=O)CCl)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
ACACB O00763 3/20 0.44
PLA2G4B P0C869 6/20 0.43
MAPT P10636 1/20 0.40
PLA2G4A P47712 1/20 0.38
RAB9A P51151 1/20 0.38
PTGDR Q13258 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL10789195 0.87 ALDH1A1 (0.47) ALDH1A1TSHRACACBPLA2G4BMAPT
SCHEMBL9856115 0.82 ALDH1A1 (0.66) ALDH1A1TSHRACACBMAPTPTGDR
SCHEMBL9856122 0.82 ALDH1A1 (0.66) ALDH1A1TSHRACACBMAPTPTGDR
SCHEMBL10793584 0.82 ACACB (0.50) ALDH1A1TSHRACACBMAPTLMNA
SCHEMBL9856571 0.79 ALDH1A1 (0.50) ALDH1A1TSHRACACBMAPTKMT2A
SCHEMBL10394582 0.78 KMT2A (0.50) ALDH1A1TSHRACACBRAB9ALMNA
SCHEMBL10794755 0.76 ACACB (0.35) ALDH1A1TSHRACACBMAPTRAB9A
SCHEMBL122883 0.75 ACACB (0.45) ACACBMAPTKMT2A
SCHEMBL8082306 0.75 LMNA (0.52) ALDH1A1ACACBMAPTLMNAKMT2A
SCHEMBL10804244 0.75 ALDH1A1 (0.46) ALDH1A1TSHRACACBMAPTKMT2A

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-4647698-A Novel compositions SANDOZ LTD. (US) 1987-03-03 US disclosed