SCHEMBL8712989

SCHEMBL8712989

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.43
PPARA Q07869 3/20 0.43
PPARD Q03181 1/20 0.42
MC4R P32245 1/20 0.40
STAT3 P40763 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP19A1 P11511 1/20 0.40
CTSD P07339 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTPN7 P35236 1/20 0.39
DUSP3 P51452 1/20 0.39
CA2 P00918 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ATM Q13315 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
SCHEMBL8715550 0.90 SMN1; SMN2 (0.47) STAT3CYP19A1CTSDLMNASMN1; SMN2
SCHEMBL8717242 0.89 ESR1 (0.46) STAT3CYP19A1LMNACA2KDM4E
SCHEMBL8714103 0.89 EPHX2 (0.41) STAT3CYP19A1CTSDLMNASMN1; SMN2
SCHEMBL8713922 0.88 LMNA (0.49) MMP1STAT3KMT2ACYP19A1LMNA
SCHEMBL8713860 0.88 HTT (0.47) STAT3KMT2ACYP19A1LMNASMN1; SMN2
SCHEMBL8718432 0.83 LMNA (0.40) STAT3TMEM97KMT2ACYP19A1CTSD
SCHEMBL8716946 0.81 ADRB2 (0.41) STAT3CYP19A1LMNASMN1; SMN2CA2
SCHEMBL8433303 0.80 MEN1 (0.39) STAT3KMT2ACYP19A1CTSDLMNA
SCHEMBL8433905 0.80 MEN1 (0.39) STAT3KMT2ACYP19A1CTSDLMNA
SCHEMBL8720032 0.80 KDM4E (0.40) MMP1STAT3KMT2ACYP19A1LMNA

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