SCHEMBL8713622

SCHEMBL8713622

COc1ccccc1CC(C)(C[C@H](N)O)c1ccccc1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.42
RXRA P19793 2/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
SGMS2 Q8NHU3 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
NPY1R P25929 1/20 0.39
HTT P42858 1/20 0.39
NPY2R P49146 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR1A P08908 2/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
BCHE P06276 4/20 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
SCHEMBL8713631 0.89 RXRA (0.42) RXRARXRBRXRGL3MBTL1SGMS2
SCHEMBL8716180 0.88 IDO1 (0.41) L3MBTL1LMNAHTTKMT2ASMN1; SMN2
SCHEMBL8716231 0.88 RXRA (0.41) RXRARXRBRXRGL3MBTL1SGMS2
SCHEMBL8718108 0.86 ABCB1 (0.46) ABCB1RXRARXRBRXRGKDM4E
SCHEMBL8716927 0.83 HTR1A (0.44) ABCB1L3MBTL1KDM4ELMNAKMT2A
SCHEMBL8720320 0.82 NR3C1 (0.41) L3MBTL1LMNAKMT2ASMN1; SMN2
SCHEMBL8716700 0.82 MPO (0.40) KDM4ELMNASMN1; SMN2ITGA4ITGB7
SCHEMBL8716634 0.82 NR3C1 (0.38) L3MBTL1LMNASMN1; SMN2
SCHEMBL8719259 0.81 NR3C1 (0.39) LMNAKMT2ASMN1; SMN2
SCHEMBL8720042 0.80 IDO1 (0.41) L3MBTL1LMNAKMT2ASMN1; SMN2ITGA4

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