SCHEMBL6435628

SCHEMBL6435628

CCCCCCCCCCCCOP(O)OC(c1ccc(C(C)(C)C)cc1C(C)(C)C)c1ccc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
VDR P11473 1/20 0.32
ESR1 P03372 2/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
CNR2 P34972 2/20 0.31
CNR1 P21554 1/20 0.31
GHSR Q92847 1/20 0.31
TRPV1 Q8NER1 1/20 0.30
NR5A2 O00482 1/20 0.30

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
SCHEMBL6431833 1.00 THRA (0.33) THRATHRBVDRESR1RXRA
SCHEMBL1531367 1.00 THRA (0.33) THRATHRBVDRESR1RXRA
SCHEMBL6432909 1.00 THRA (0.33) THRATHRBVDRESR1RXRA
SCHEMBL98165 1.00 THRA (0.33) THRATHRBVDRESR1RXRA
SCHEMBL7113980 0.89 ESR1 (0.37) VDRESR1HDAC3HDAC1HDAC2
SCHEMBL696932 0.82 ALDH1A1 (0.34) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL13571746 0.79 THRA (0.34) THRATHRBESR1RXRARXRB
SCHEMBL2925233 0.79 THRA (0.41) THRATHRBESR1CNR2CNR1
SCHEMBL7948647 0.79 THRA (0.41) THRATHRBESR1CNR2CNR1
SCHEMBL7951307 0.79 THRA (0.41) THRATHRBESR1CNR2CNR1

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
EP-1283245-B1 POLYESTER RESIN COMPOSITION AND PROCESS FOR THE PREPARATION THEREOF KANEKA CORP (JP) 2005-11-09 EP disclosed
US-20040024139-A1 Polyester resin composition and process for the preparation thereof KANEKA CORPORATION (JP) 2004-02-05 US disclosed
EP-1283245-A1 POLYESTER RESIN COMPOSITION AND PROCESS FOR THE PREPARATION THEREOF KANEKA CORPORATION (JP) 2003-02-12 EP disclosed