SCHEMBL8935641

SCHEMBL8935641

CC[C@H](Oc1ccccc1C)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.57
PPARA Q07869 9/20 0.53
PPARG P37231 9/20 0.50
TDP1 Q9NUW8 2/20 0.47
HTT P42858 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
NOTUM Q6P988 1/20 0.43

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
SCHEMBL3879629 1.00 SMN1; SMN2 (0.57) SMN1; SMN2PPARAPPARGTDP1HTT
SCHEMBL8935703 0.87 SMN1; SMN2 (0.54) SMN1; SMN2PPARAPPARGTDP1
SCHEMBL8935705 0.87 SMN1; SMN2 (0.54) SMN1; SMN2PPARAPPARGTDP1
SCHEMBL29213724 0.85 TDP1 (0.54) SMN1; SMN2PPARATDP1HTTKDM4E
SCHEMBL4650644 0.83 KMT2A (0.62) SMN1; SMN2PPARAPPARGHTTALDH1A1
SCHEMBL8935639 0.83 KMT2A (0.62) SMN1; SMN2PPARAPPARGHTTALDH1A1
SCHEMBL6664136 0.83 SMN1; SMN2 (0.49) SMN1; SMN2PPARAPPARGTSHR
SCHEMBL17633012 0.83 SMN1; SMN2 (0.49) SMN1; SMN2PPARAPPARGTSHR
SCHEMBL8935961 0.83 SMN1; SMN2 (0.49) SMN1; SMN2PPARAPPARGTSHR
SCHEMBL5861928 0.83 SMN1; SMN2 (0.49) SMN1; SMN2PPARAPPARGTSHR

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-5491167-A INHIBITORS OF CHOLESTEROL BIOSYNTHESIS SANKYO COMPANY, LIMITED (JP) 1996-02-13 US disclosed