SCHEMBL8719246

SCHEMBL8719246

COc1ccc(CC(C)(C[C@H](N)O)c2ccccc2Cl)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.40
KMT2A Q03164 1/20 0.39
ADRB2 P07550 2/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
STAT3 P40763 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP19A1 P11511 1/20 0.38
MAPK1 P28482 1/20 0.37
CA2 P00918 1/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LDHA P00338 1/20 0.36
CTSD P07339 1/20 0.36
HTT P42858 1/20 0.36
P2RX7 Q99572 1/20 0.36
NR3C1 P04150 1/20 0.36
NR3C2 P08235 1/20 0.36
CASR P41180 1/20 0.36

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
SCHEMBL8718953 0.89 STAT3 (0.41) ATMKMT2AADRB2STAT3SMN1; SMN2
SCHEMBL8713152 0.89 RAB9A (0.39) ATMKMT2ASTAT3SMN1; SMN2ALDH1A1
SCHEMBL8713354 0.87 ALOX15 (0.40) ATMKMT2AADRB2STAT3SMN1; SMN2
SCHEMBL8716671 0.87 ADRB2 (0.40) ATMKMT2AADRB2ADRB1ADRB3
SCHEMBL8720032 0.87 KDM4E (0.40) ATMKMT2AADRB2ADRB1ADRB3
SCHEMBL8713860 0.83 HTT (0.47) ATMKMT2AADRB2STAT3SMN1; SMN2
SCHEMBL8718108 0.82 ABCB1 (0.46) ATMKMT2ASMN1; SMN2KDM4EHTT
SCHEMBL8719259 0.82 NR3C1 (0.39) KMT2ASMN1; SMN2ALDH1A1NR3C1NR3C2
SCHEMBL8718432 0.81 LMNA (0.40) ATMKMT2ASTAT3SMN1; SMN2CYP19A1
SCHEMBL8713922 0.81 LMNA (0.49) ATMKMT2ASTAT3ALDH1A1CYP19A1

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