SCHEMBL3130301

SCHEMBL3130301

O=C1OC(=O)[C@H]2C3C=CC(C3)[C@@H]12.O=C1OC(=O)[C@H]2C3C=CC(C3)[C@@H]12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.42
RAB9A P51151 3/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GMNN O75496 1/20 0.42
PPM1B O75688 1/20 0.42
PPP1CC P36873 1/20 0.42
TFPI2 P48307 1/20 0.42
PPP5C P53041 1/20 0.42
PPP1CA P62136 1/20 0.42
PMP22 Q01453 1/20 0.42
TP53 P04637 1/20 0.42
CYP2D6 P10635 1/20 0.42
NFKB1 P19838 1/20 0.42
THPO P40225 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 2/20 0.41

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
SCHEMBL12268145 1.00 ALDH1A1 (0.48) ALDH1A1TDP1SMN1; SMN2RAB9ALMNA
SCHEMBL13216620 1.00 ALDH1A1 (0.48) ALDH1A1TDP1SMN1; SMN2RAB9ALMNA
SCHEMBL196877 1.00 ALDH1A1 (0.48) ALDH1A1TDP1SMN1; SMN2RAB9ALMNA
SCHEMBL27496 1.00 ALDH1A1 (0.48) ALDH1A1TDP1SMN1; SMN2RAB9ALMNA
SCHEMBL533614 1.00 ALDH1A1 (0.48) ALDH1A1TDP1SMN1; SMN2RAB9ALMNA
SCHEMBL10050519 1.00 ALDH1A1 (0.48) ALDH1A1TDP1SMN1; SMN2RAB9ALMNA
SCHEMBL13897083 1.00 ALDH1A1 (0.48) ALDH1A1TDP1SMN1; SMN2RAB9ALMNA
SCHEMBL12549702 1.00 ALDH1A1 (0.48) ALDH1A1TDP1SMN1; SMN2RAB9ALMNA
SCHEMBL13957069 1.00 ALDH1A1 (0.48) ALDH1A1TDP1SMN1; SMN2RAB9ALMNA
SCHEMBL13397502 1.00 ALDH1A1 (0.48) ALDH1A1TDP1SMN1; SMN2RAB9ALMNA

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
EP-1503857-B1 RECYCLABLE CHIRAL METATHESIS CATALYSTS TRUSTEES BOSTON COLLEGE (US) 2010-07-07 EP disclosed