SCHEMBL8940896

SCHEMBL8940896

CCn1ncc(C(=O)c2ccc3c(c2C)C(OC)C(C)CS3(=O)=O)c1O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.32
RAB9A P51151 2/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 2/20 0.30
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 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
SCHEMBL8940917 0.85 RAB9A (0.32) SMN1; SMN2RAB9ALMNAALDH1A1CYP1A2
SCHEMBL8303808 0.82 RAB9A (0.31) SMN1; SMN2RAB9ALMNA
SCHEMBL8131597 0.82 LMNA (0.34) SMN1; SMN2RAB9ALMNA
SCHEMBL8940919 0.81 SMN1; SMN2 (0.32) SMN1; SMN2RAB9ALMNAALDH1A1GAA
SCHEMBL8940874 0.79 RAB9A (0.31) SMN1; SMN2RAB9ALMNAALDH1A1CYP1A2
SCHEMBL8121496 0.79 SMN1; SMN2 (0.32) SMN1; SMN2RAB9ALMNAALDH1A1GAA
SCHEMBL8120654 0.78 RAB9A (0.34) SMN1; SMN2RAB9ALMNA
SCHEMBL8307021 0.77 PDE4B (0.32) SMN1; SMN2RAB9ALMNA
SCHEMBL8940960 0.77 RAB9A (0.30) SMN1; SMN2RAB9ALMNA
SCHEMBL8132414 0.76 SMN1; SMN2 (0.33) SMN1; SMN2RAB9ALMNAALDH1A1GAA

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-5587484-A HALOGENATION; OXIDATION; SULFONATION; HERBICIDES IDEMITSU KOSAN CO., LTD. (JP) 1996-12-24 US disclosed