SCHEMBL15028784

SCHEMBL15028784

COc1ccc(C2(c3ccc(O)cc3)C=Cc3c4c(c5cc(OC)ccc5c3O2)-c2ccc(-c3ccccc3)cc2C4(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.36
PDE4D Q08499 2/20 0.35
ABL1 P00519 1/20 0.34
ABCB1 P08183 1/20 0.34
BCR P11274 1/20 0.34
BACE1 P56817 1/20 0.33
PDK2 Q15119 1/20 0.33
PTPN1 P18031 1/20 0.33
HSP90AA1 P07900 1/20 0.33
GPR84 Q9NQS5 2/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ESR2 Q92731 1/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL9926882 0.99 ESR1 (0.37) ESR1PDE4DABL1ABCB1BCR
SCHEMBL9899115 0.96 KDM4E (0.34) ABL1ABCB1BCRBACE1PDK2
SCHEMBL16705204 0.95 ESR1 (0.36) ESR1PDE4DABL1ABCB1BCR
SCHEMBL25607194 0.92 KDM4E (0.33) ABL1ABCB1BCRBACE1PDK2
SCHEMBL9898547 0.91 MEN1 (0.34) ABL1ABCB1BCRBACE1PDK2
SCHEMBL9926878 0.90 GPR84 (0.35) ABL1ABCB1BCRBACE1PDK2
SCHEMBL18102227 0.90 ALDH1A1 (0.35) ESR1MEN1KMT2AMAPTKDM4E
SCHEMBL16705198 0.90 CYP17A1 (0.34) PDE4DBACE1KMT2A
SCHEMBL1187759 0.90 MAPT (0.33) ESR1PDE4DABL1ABCB1BCR
SCHEMBL9926894 0.89 PDK2 (0.37) BACE1PDK2PTPN1GPR84MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3071401-B1 METHOD OF FORMING A PHOTOCHROMIC SEGMENTED MULTIFOCAL LENS TRANSITIONS OPTICAL INC (US) 2017-09-20 EP disclosed
US-20160279886-A1 METHOD OF FORMING A PHOTOCHROMIC SEGMENTED MULTIFOCAL LENS TRANSITIONS OPTICAL, INC. 2016-09-29 US disclosed
US-9028728-B2 Photochromic materials that include indeno-fused naphthopyrans TRANSITIONS OPTICAL, INC. (US) 2015-05-12 US disclosed
WO-2013086248-A1 PHOTOCHROMIC MATERIALS THAT INCLUDE INDENO-FUSED NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 2013-06-13 WO disclosed