SCHEMBL16865669

SCHEMBL16865669

CCOc1c(C)cc(C(C)(C)c2cc(C)c(OC(=O)OC)c(C)c2)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GLA P06280 2/20 0.35
MAPT P10636 2/20 0.35
VDR P11473 1/20 0.35
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RORC P51449 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC1 Q13547 1/20 0.33

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
SCHEMBL13996167 0.82 ALDH1A1 (0.40) MEN1KMT2ACYP1A2ALDH1A1GLA
SCHEMBL16865668 0.80 MAPT (0.38) MEN1KMT2ACYP1A2ALDH1A1GLA
SCHEMBL20244138 0.80 AKR1B1 (0.33) ALDH1A1TAS1R3TAS1R1
SCHEMBL9657729 0.76 MEN1 (0.37) MEN1KMT2ACYP1A2ALDH1A1GLA
SCHEMBL16865670 0.74 NPC1 (0.49) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL20436165 0.74 ALDH1A1 (0.35) MEN1KMT2AALDH1A1GLAMAPT
SCHEMBL11925426 0.74 VDR (0.42) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL9682715 0.73 RAPGEF4 (0.41) MEN1KMT2AALDH1A1GLAMAPT
SCHEMBL6938515 0.72 HSD17B10 (0.47) CYP2C9ALDH1A1MAPTTSHRKDM4E
SCHEMBL12722260 0.72 VCAM1 (0.36) MEN1KMT2AALDH1A1MAPTKDM4E

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-9994673-B2 Bisphenol polyether oligomers, methods of manufacture, and polycarbonates made therefrom SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2018-06-12 US disclosed
US-20160009859-A1 BISPHENOL POLYETHER OLIGOMERS, METHODS OF MANUFACTURE, AND POLYCARBONATES MADE THEREFROM SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2016-01-14 US disclosed
US-20150183929-A1 BISPHENOL POLYETHER OLIGOMERS, METHODS OF MANUFACTURE, AND POLYCARBONATES MADE THEREFROM SABIC INNOVATIVE PLASTICS IP B.V (NL) 2015-07-02 US disclosed