SCHEMBL8714103

SCHEMBL8714103

COc1ccc(CC(C)(C[C@H](N)O)c2ccc(C)cc2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
STAT3 P40763 1/20 0.41
LMNA P02545 3/20 0.40
CYP19A1 P11511 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
CTSD P07339 1/20 0.40
CA2 P00918 1/20 0.40
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ATM Q13315 1/20 0.39
LDHA P00338 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
ACHE P22303 1/20 0.38

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
SCHEMBL8717242 0.90 ESR1 (0.46) STAT3LMNACYP19A1CA2ALDH1A1
SCHEMBL8712989 0.89 MMP1 (0.43) STAT3LMNACYP19A1SMN1; SMN2CTSD
SCHEMBL8713922 0.89 LMNA (0.49) STAT3LMNACYP19A1CA2ALDH1A1
SCHEMBL8713860 0.89 HTT (0.47) STAT3LMNACYP19A1SMN1; SMN2CA2
SCHEMBL8716946 0.87 ADRB2 (0.41) STAT3LMNACYP19A1SMN1; SMN2POLB
SCHEMBL8718432 0.84 LMNA (0.40) STAT3LMNACYP19A1SMN1; SMN2CTSD
SCHEMBL8433303 0.81 MEN1 (0.39) STAT3LMNACYP19A1SMN1; SMN2CTSD
SCHEMBL8433905 0.81 MEN1 (0.39) STAT3LMNACYP19A1SMN1; SMN2CTSD
SCHEMBL8715550 0.81 SMN1; SMN2 (0.47) STAT3LMNACYP19A1SMN1; SMN2CTSD
SCHEMBL8716671 0.81 ADRB2 (0.40) STAT3LMNACYP19A1SMN1; SMN2POLB

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