SCHEMBL8716671

SCHEMBL8716671

COc1ccc(CC(C)(C[C@H](N)O)c2ccccc2C)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.40
ADRB1 P08588 2/20 0.40
ADRB3 P13945 2/20 0.40
STAT3 P40763 1/20 0.39
CYP19A1 P11511 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
LDHA P00338 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.36
P2RX7 Q99572 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 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 0.90 STAT3 (0.41) ADRB2STAT3CYP19A1SIGMAR1CA2
SCHEMBL8713354 0.88 ALOX15 (0.40) ADRB2STAT3CYP19A1CA2MEN1
SCHEMBL8720032 0.88 KDM4E (0.40) ADRB2ADRB1ADRB3STAT3CYP19A1
SCHEMBL8719246 0.87 ATM (0.40) ADRB2ADRB1ADRB3STAT3CYP19A1
SCHEMBL8713860 0.84 HTT (0.47) ADRB2STAT3CYP19A1SIGMAR1CA2
SCHEMBL8718108 0.83 ABCB1 (0.46) LMNAMEN1KMT2AKDM4EATM
SCHEMBL8716634 0.81 NR3C1 (0.38) LMNASMN1; SMN2ALDH1A1
SCHEMBL8713152 0.81 RAB9A (0.39) STAT3CYP19A1LMNAMEN1KMT2A
SCHEMBL8714103 0.81 EPHX2 (0.41) ADRB2ADRB1ADRB3STAT3CYP19A1
SCHEMBL8716946 0.80 ADRB2 (0.41) ADRB2ADRB1ADRB3STAT3CYP19A1

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