SCHEMBL8713544

SCHEMBL8713544

COc1ccccc1CC(C)[C@@H](N)[C@H](O)c1ccc(C)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 1/20 0.41
IDO1 P14902 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL8713546 1.00 SMN1; SMN2 (0.41) SMN1; SMN2HSD17B10IDO1TAAR1KMT2A
SCHEMBL8720039 0.91 ATM (0.46) SMN1; SMN2IDO1TAAR1KMT2ACYP2D6
SCHEMBL8720035 0.91 ATM (0.46) SMN1; SMN2IDO1TAAR1KMT2ACYP2D6
SCHEMBL8717465 0.88 KMT2A (0.41) SMN1; SMN2IDO1TAAR1KMT2ACYP3A4
SCHEMBL8717462 0.88 KMT2A (0.41) SMN1; SMN2IDO1TAAR1KMT2ACYP3A4
SCHEMBL8717142 0.86 AOC3 (0.39) SMN1; SMN2KMT2ACYP2D6SLC6A2SLC6A4
SCHEMBL8717141 0.86 AOC3 (0.39) SMN1; SMN2KMT2ACYP2D6SLC6A2SLC6A4
SCHEMBL8715306 0.85 MEN1 (0.40) KMT2ACYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL8715309 0.85 MEN1 (0.40) KMT2ACYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL8716628 0.84 IDO1 (0.41) SMN1; SMN2IDO1TAAR1KMT2ACYP2D6

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