SCHEMBL27767686

SCHEMBL27767686

COCc1ccc(Cc2c(C)cc(OC(C)=O)cc2O)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 8/20 0.48
THRB P10828 8/20 0.48
CYP3A4 P08684 1/20 0.39
LMNA P02545 2/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
PRKCE Q02156 1/20 0.35
ACHE P22303 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
ERN1 O75460 1/20 0.35
AKT1 P31749 1/20 0.35
CFD P00746 1/20 0.35

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
SCHEMBL27746660 0.89 THRA (0.48) THRATHRBCYP3A4KDM4EKMT2A
SCHEMBL27767713 0.89 THRA (0.50) THRATHRBCYP3A4LMNACYP4F2
SCHEMBL4797378 0.88 THRA (0.49) THRATHRBCYP3A4LMNACYP4F2
SCHEMBL27746659 0.86 THRA (0.48) THRATHRBCYP3A4LMNAPOLB
SCHEMBL27746702 0.86 THRA (0.48) THRATHRBCYP3A4LMNACYP4F2
SCHEMBL27767721 0.84 THRA (0.49) THRATHRBKDM4EPOLBKMT2A
SCHEMBL6724702 0.82 SLC5A1 (0.47) THRATHRBLMNAKDM4EKMT2A
SCHEMBL27746689 0.82 THRA (0.44) THRATHRBCYP3A4LMNAKDM4E
SCHEMBL27767700 0.82 THRA (0.44) THRATHRBCYP3A4KDM4EGLA
SCHEMBL27746667 0.80 HTT (0.41) THRATHRBLMNACYP4F2CYP4A11

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
CN-101472937-A Benzylphenylglucopyranoside Derivatives DAIICHI SANKYO CO LTD (JP) 2009-07-01 CN disclosed