SCHEMBL14682192

SCHEMBL14682192

COc1ccc(-c2ccc(C(C)(C)c3ccc(-c4ccc(OC(=O)Oc5ccc(C(C)(C)c6ccc(OC(C)=O)c(C)c6)cc5C)c(C)c4)cc3)cc2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.40
FFAR1 O14842 1/20 0.40
BACE1 P56817 2/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NR3C1 P04150 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TNFSF11 O14788 1/20 0.36
JUN P05412 1/20 0.36
NFKB1 P19838 1/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
PTGS1 P23219 1/20 0.35
CYP19A1 P11511 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 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
SCHEMBL14682197 0.97 CFD (0.42) CFDFFAR1BACE1TSHRALDH1A1
SCHEMBL14682195 0.92 KMT2A (0.43) CFDFFAR1BACE1MEN1KMT2A
SCHEMBL14682196 0.90 KMT2A (0.42) CFDFFAR1BACE1ALDH1A1MEN1
SCHEMBL15417114 0.90 KMT2A (0.42) BACE1TSHRALDH1A1MEN1KMT2A
SCHEMBL10015729 0.89 TSHR (0.46) BACE1TSHRALDH1A1NR3C1TNFSF11
SCHEMBL13144084 0.89 KMT2A (0.43) BACE1TSHRALDH1A1MEN1KMT2A
SCHEMBL14682201 0.88 ACACB (0.42) FFAR1BACE1ALDH1A1MEN1KMT2A
SCHEMBL2608608 0.88 TSHR (0.47) BACE1TSHRALDH1A1NR3C1TNFSF11
SCHEMBL14682220 0.88 BACE1 (0.49) CFDBACE1ALDH1A1MEN1KMT2A
SCHEMBL14682214 0.86 BACE1 (0.50) CFDBACE1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9618881-B2 Biaryl polycarbonate intermediate transfer members XEROX CORPORATION (US) 2017-04-11 US disclosed
US-20140079446-A1 BIARYL POLYCARBONATE INTERMEDIATE TRANSFER MEMBERS XEROX CORPORATION (US) 2014-03-20 US disclosed
US-20130034733-A1 BIARYL POLYCARBONATE INTERMEDIATE TRANSFER MEMBERS XEROX CORPORATION (US) 2013-02-07 US disclosed