SCHEMBL8718436

SCHEMBL8718436

Cc1ccccc1CC(C)[C@@H](N)[C@H](O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ADRA2A P08913 1/20 0.49
LMNA P02545 1/20 0.49
HIF1A Q16665 1/20 0.49
ALDH1A1 P00352 2/20 0.47
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
AOC3 Q16853 3/20 0.40
CHRM2 P08172 1/20 0.39
ADRA1A P35348 1/20 0.39
RGS12 O14924 1/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL8718438 1.00 ADRA2C (0.49) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL8716593 0.88 PPARG (0.44) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL8716591 0.88 PPARG (0.44) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL8714091 0.86 TAAR1 (0.38) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL8714092 0.86 TAAR1 (0.38) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL8716621 0.85 ADRB3 (0.40) AOC3ADRA1ACYP3A4CYP2D6CYP2C9
SCHEMBL8716623 0.85 ADRB3 (0.40) AOC3ADRA1ACYP3A4CYP2D6CYP2C9
SCHEMBL8713637 0.85 HSD11B1 (0.36) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL8713634 0.85 HSD11B1 (0.36) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL8713656 0.83 LMNA (0.47) ADRA2CKDM4EADRA2ALMNAHIF1A

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