SCHEMBL9494786

SCHEMBL9494786

CC(C)(C)c1ccc(OP(Oc2ccc(C(C)(C)C)cc2C(C)(C)C)Oc2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1.CCCCCCCC[PH](O)(Oc1ccccc1C(C)(C)C)Oc1ccccc1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
APEX1 P27695 1/20 0.31
PGR P06401 1/20 0.31
RORA P35398 1/20 0.31
RORC P51449 1/20 0.31
RORB Q92753 1/20 0.31
GHSR Q92847 1/20 0.30
P2RY1 P47900 1/20 0.30
PTGDR2 Q9Y5Y4 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
SCHEMBL466236 0.88 THRA (0.38) CNR1CNR2THRATHRBALDH1A1
SCHEMBL11265852 0.85 THRA (0.34) CNR1CNR2THRATHRBAPEX1
SCHEMBL11428141 0.84 ALDH1A1 (0.41) CNR1CNR2KDM4EALDH1A1P2RY1
SCHEMBL16296414 0.79 APEX1 (0.40) KDM4EALDH1A1APEX1P2RY1
SCHEMBL31242421 0.79 APEX1 (0.40) KDM4EALDH1A1APEX1P2RY1
SCHEMBL13223748 0.79 APEX1 (0.40) KDM4EALDH1A1APEX1P2RY1
SCHEMBL2710799 0.78 THRA (0.38) CNR1CNR2THRATHRBKDM4E
SCHEMBL7948651 0.78 THRA (0.38) CNR1CNR2THRATHRBKDM4E
SCHEMBL7954051 0.78 THRA (0.38) CNR1CNR2THRATHRBKDM4E
SCHEMBL7950291 0.78 THRA (0.38) CNR1CNR2THRATHRBKDM4E

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-0384985-B1 METHOD FOR STABILIZING CYCLIC CARBONATES GENERAL ELECTRIC COMPANY (US) 1993-03-03 EP disclosed
EP-0384985-A1 Method for stabilizing cyclic carbonates GENERAL ELECTRIC COMPANY (US) 1990-09-05 EP disclosed
US-4912198-A Polymerization inhibition GENERAL ELECTRIC COMPANY (US) 1990-03-27 US disclosed