SCHEMBL8716634

SCHEMBL8716634

COc1ccccc1CC(C)(C[C@H](N)O)c1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.38
IDO1 P14902 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
CHRM2 P08172 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
AOC3 Q16853 1/20 0.35
IDH1 O75874 1/20 0.34
NR3C2 P08235 1/20 0.34
CHRM1 P11229 1/20 0.34
SCN8A Q9UQD0 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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) NR3C1IDO1TAAR1LMNASMN1; SMN2
SCHEMBL8714179 0.90 NR3C1 (0.46) NR3C1IDO1TAAR1LMNASMN1; SMN2
SCHEMBL8716700 0.87 MPO (0.40) NR3C1IDO1TAAR1LMNASMN1; SMN2
SCHEMBL8720320 0.87 NR3C1 (0.41) NR3C1IDO1TAAR1LMNASMN1; SMN2
SCHEMBL8714096 0.86 ADRB2 (0.38) NR3C1TAAR1LMNAALDH1A1GAA
SCHEMBL8719259 0.86 NR3C1 (0.39) NR3C1IDO1TAAR1LMNASMN1; SMN2
SCHEMBL8720042 0.83 IDO1 (0.41) IDO1TAAR1LMNASMN1; SMN2MAPT
SCHEMBL8713622 0.82 ABCB1 (0.42) LMNASMN1; SMN2L3MBTL1
SCHEMBL8713551 0.82 KIF11 (0.38) IDO1TAAR1LMNASMN1; SMN2MAPT
SCHEMBL8714242 0.82 SLC6A2 (0.38) NR3C1IDO1TAAR1LMNASMN1; SMN2

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