SCHEMBL7575331

SCHEMBL7575331

O=C(O)OC(=O)O.c1ccc(C2(c3ccccc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
CYP2C9 P11712 1/20 0.52
KMT2A Q03164 1/20 0.52
OPRM1 P35372 5/20 0.48
AKR1C1 Q04828 1/20 0.45
OPRL1 P41146 1/20 0.43
LMNA P02545 2/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
GRIN1 Q05586 1/20 0.41
KCNH2 Q12809 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
CYP2D6 P10635 1/20 0.41
HTR2A P28223 1/20 0.41
DAO P14920 1/20 0.41

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
Bicarbonate SCHEMBL7575333 0.86 MEN1 (0.60) MEN1CYP2C9KMT2AOPRM1AKR1C1
SCHEMBL2256575 0.81 OPRM1 (0.67) MEN1CYP2C9KMT2AOPRM1OPRL1
SCHEMBL2256573 0.81 OPRM1 (0.67) MEN1CYP2C9KMT2AOPRM1OPRL1
Bromide SCHEMBL28969840 0.78 OPRM1 (0.64) MEN1CYP2C9KMT2AOPRM1OPRL1
Ammonia Solution, Strong SCHEMBL1158702 0.78 OPRM1 (0.64) MEN1CYP2C9KMT2AOPRM1OPRL1
Formic Acid SCHEMBL28940816 0.77 MEN1 (0.56) MEN1CYP2C9KMT2AOPRM1AKR1C1
SCHEMBL8439272 0.77 RXRA (0.58) MEN1CYP2C9KMT2AOPRM1AKR1C1
Bromide SCHEMBL28680754 0.76 OPRM1 (0.61) MEN1CYP2C9KMT2AOPRM1OPRL1
Iodide SCHEMBL28805522 0.76 OPRM1 (0.61) MEN1CYP2C9KMT2AOPRM1OPRL1
SCHEMBL4600196 0.75 MEN1 (0.48) MEN1CYP2C9KMT2AOPRM1AKR1C1

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-0926118-B1 Process for the purification of bisphenols and preparation of polycarbonates therefrom GEN ELECTRIC (US) 2002-09-11 EP disclosed
US-6008315-A REACTING A PHENOL AND A KETONE TO FORM BISPHENOL IN SOLUTION OR A MIXED SOLUTION OF PHENOL AND BISPHENOL, AND THE IMPROVEMENT COMPRISES FILTERING IN A NONCONTAMINATING, HEAT RESISTANT, REUSABLE CALCINED METAL FILTER GENERAL ELECTRIC COMPANY (US) 1999-12-28 US disclosed
EP-0926118-A1 Process for the purification of bisphenols and preparation of polycarbonates therefrom GENERAL ELECTRIC COMPANY (US) 1999-06-30 EP disclosed