SCHEMBL7948651

SCHEMBL7948651

CCCCCCCCCCCC[PH](O)(O)Oc1ccc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
ESR1 P03372 2/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
GHSR Q92847 1/20 0.34
APEX1 P27695 1/20 0.33
NR5A2 O00482 1/20 0.33
NR5A1 Q13285 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL7950291 1.00 THRA (0.38) THRATHRBHDAC3HDAC1HDAC2
SCHEMBL7951310 1.00 THRA (0.38) THRATHRBHDAC3HDAC1HDAC2
SCHEMBL7954051 1.00 THRA (0.38) THRATHRBHDAC3HDAC1HDAC2
SCHEMBL2710799 1.00 THRA (0.38) THRATHRBHDAC3HDAC1HDAC2
SCHEMBL7942239 1.00 THRA (0.38) THRATHRBHDAC3HDAC1HDAC2
SCHEMBL466236 0.89 THRA (0.38) THRATHRBHDAC3HDAC1HDAC2
SCHEMBL7949649 0.86 THRB (0.38) THRATHRBCNR1CNR2MEN1
SCHEMBL7942246 0.86 THRB (0.38) THRATHRBCNR1CNR2MEN1
SCHEMBL7954039 0.86 THRB (0.38) THRATHRBCNR1CNR2MEN1
SCHEMBL7950298 0.86 THRB (0.38) THRATHRBCNR1CNR2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6231804-B1 USED FOR HOLLOW CONTAINERS, A FILM, A SHEET, A PIPE, FIBER AND MOLDING;A BLEND OF HIGH MOLECULAR WEIGHT POLYETHYLENE COPOLYMER,AN OLEFIN HOMO OR COPLYMER CHISSO CORPORATION (JP) 2001-05-15 US disclosed
EP-0972800-A1 MODIFIED OLEFIN (CO)POLYMER COMPOSITION, PROCESS FOR PREPARING THE SAME, AND MODIFIED OLEFIN (CO)POLYMER COMPOSITION MOLDING CHISSO CORPORATION (JP) 2000-01-19 EP disclosed