SCHEMBL8713626

SCHEMBL8713626

Cc1ccccc1CC(C)[C@@H](N)[C@H](O)c1ccccc1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 4/20 0.43
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SCN4A P35499 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
HTR1A P08908 2/20 0.39
DRD2 P14416 1/20 0.39
SLC1A5 Q15758 2/20 0.39
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 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
SCHEMBL8713629 1.00 SGMS2 (0.43) SGMS2TDP1MAPTMAPK1L3MBTL1
SCHEMBL8713614 0.88 ABCB1 (0.43) SGMS2L3MBTL1RXRAHTR1ADRD2
SCHEMBL8713617 0.88 ABCB1 (0.43) SGMS2L3MBTL1RXRAHTR1ADRD2
SCHEMBL8716228 0.87 FABP4 (0.43) SGMS2RXRARXRBHTR1ADRD2
SCHEMBL8716229 0.87 FABP4 (0.43) SGMS2RXRARXRBHTR1ADRD2
SCHEMBL8714177 0.85 KMT2A (0.39) MAPK1ADRA1A
SCHEMBL8714178 0.85 KMT2A (0.39) MAPK1ADRA1A
SCHEMBL8714092 0.82 TAAR1 (0.38) ALDH1A1LMNAGAAKDM4E
SCHEMBL8714091 0.82 TAAR1 (0.38) ALDH1A1LMNAGAAKDM4E
SCHEMBL8716922 0.81 CFD (0.47) TDP1MAPTMAPK1L3MBTL1HTR1A

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