SCHEMBL8720320

SCHEMBL8720320

COc1ccccc1CC(C)(C[C@H](N)O)c1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 5/20 0.41
NR3C2 P08235 3/20 0.41
TAAR1 Q96RJ0 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
IDO1 P14902 2/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
PARP14 Q460N5 1/20 0.36
PARP10 Q53GL7 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
KCNH2 Q12809 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
AOC3 Q16853 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
SCHEMBL8716180 0.91 IDO1 (0.41) NR3C1NR3C2TAAR1L3MBTL1IDO1
SCHEMBL8716634 0.87 NR3C1 (0.38) NR3C1NR3C2TAAR1L3MBTL1IDO1
SCHEMBL8716700 0.87 MPO (0.40) NR3C1NR3C2TAAR1IDO1LMNA
SCHEMBL8719259 0.86 NR3C1 (0.39) NR3C1NR3C2TAAR1IDO1LMNA
SCHEMBL8713610 0.86 LMNA (0.43) NR3C1NR3C2L3MBTL1IDO1LMNA
SCHEMBL8720042 0.83 IDO1 (0.41) TAAR1L3MBTL1IDO1LMNASMN1; SMN2
SCHEMBL8715451 0.83 TAAR1 (0.37) NR3C1NR3C2TAAR1ALDH1A1GAA
SCHEMBL8713622 0.82 ABCB1 (0.42) L3MBTL1LMNASMN1; SMN2KMT2A
SCHEMBL8714179 0.82 NR3C1 (0.46) NR3C1NR3C2TAAR1IDO1LMNA
SCHEMBL8716208 0.82 SLC6A2 (0.38) NR3C1NR3C2TAAR1IDO1ALDH1A1

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