SCHEMBL8717145

SCHEMBL8717145

COc1ccccc1CC(C)(C[C@H](N)O)c1cccc(C)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
IDH1 O75874 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KIF11 P52732 3/20 0.37
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
IDO1 P14902 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
CXCR4 P61073 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL8720042 0.87 IDO1 (0.41) SMN1; SMN2L3MBTL1MEN1KMT2AGAA
SCHEMBL8719228 0.87 MAPT (0.44) SMN1; SMN2GAALMNA
SCHEMBL8720152 0.87 MEN1 (0.39) L3MBTL1MEN1KMT2AKIF11GAA
SCHEMBL8713551 0.86 KIF11 (0.38) SMN1; SMN2MEN1KMT2AKIF11GAA
SCHEMBL8713653 0.83 KIF11 (0.38) SMN1; SMN2L3MBTL1KIF11GAACXCR4
SCHEMBL8716946 0.82 ADRB2 (0.41) SMN1; SMN2LMNA
SCHEMBL8714402 0.82 KCNH2 (0.38) SMN1; SMN2MEN1KMT2AKIF11GAA
SCHEMBL8715312 0.81 MEN1 (0.41) SMN1; SMN2MEN1KMT2AGAAIDO1
SCHEMBL8717467 0.81 MEN1 (0.48) SMN1; SMN2MEN1KMT2AGAAIDO1
SCHEMBL8716180 0.80 IDO1 (0.41) SMN1; SMN2L3MBTL1MEN1KMT2AGAA

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-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed