SCHEMBL14064751

SCHEMBL14064751

COc1ccc(Oc2ccc(OC(=O)Oc3ccc(C4(c5ccc(OC(C)=O)cc5)CC(C)CC(C)(C)C4)cc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
KMT2A Q03164 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
TSHR P16473 1/20 0.34
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRND Q07001 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL22651381 0.93 ESR1 (0.56) ESR1ESR2KMT2AHPGDKDM4E
SCHEMBL12021689 0.93 ESR1 (0.56) ESR1ESR2KMT2AHPGDKDM4E
SCHEMBL12021605 0.90 ESR1 (0.46) ESR1ESR2KMT2AHPGDKDM4E
SCHEMBL12031847 0.90 ESR1 (0.46) ESR1ESR2KMT2AHPGDKDM4E
SCHEMBL16158987 0.90 ESR1 (0.46) ESR1ESR2KMT2AHPGDKDM4E
SCHEMBL15705246 0.90 ESR1 (0.46) ESR1ESR2KMT2AHPGDKDM4E
SCHEMBL15705247 0.90 ESR1 (0.46) ESR1ESR2KMT2AHPGDKDM4E
SCHEMBL19766172 0.88 ESR1 (0.61) ESR1ESR2KMT2AHPGDKDM4E
SCHEMBL23969898 0.87 ESR1 (0.52) ESR1ESR2KMT2AMAPTALDH1A1
SCHEMBL25986540 0.86 ESR1 (0.60) ESR1ESR2KMT2AKDM4EALDH1A1

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-7425358-B2 Copolycarbonates having improved flowability BAYER MATERIALSCIENCE AG (DE) 2008-09-16 US disclosed