SCHEMBL2188570

SCHEMBL2188570

O=C(c1ccc(F)cc1)C1(O)C=CC(c2ccccc2)C=C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ATM Q13315 1/20 0.39
EPHX1 P07099 1/20 0.38
DRD2 P14416 2/20 0.38
GAA P10253 2/20 0.36
MAPT P10636 1/20 0.36
SLC18A3 Q16572 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
LMNA P02545 1/20 0.36
BCL2L1 Q07817 1/20 0.36
BAD Q92934 1/20 0.36
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 2/20 0.35
KCNK3 O14649 1/20 0.35

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
SCHEMBL10505742 0.85 CES2 (0.43) MAPTCES2CES1MEN1KMT2A
SCHEMBL1119643 0.77 THRB (0.35) EPHX1POLBTDP1
SCHEMBL9814883 0.76 ALDH1A1 (0.38) NPC1RAB9AATMEPHX1DRD2
SCHEMBL5320069 0.71 LMNA (0.37) ATMEPHX1MAPTCES2CES1
SCHEMBL10533324 0.71 CES2 (0.44) NPC1RAB9AMAPTCES2CES1
SCHEMBL9851147 0.71 NPC1 (0.37) NPC1RAB9AATMEPHX1DRD2
SCHEMBL8463882 0.70 CES1 (0.48) NPC1RAB9AATMMAPTCES2
SCHEMBL8970777 0.70 MAPT (0.43) ATMMAPTMEN1KMT2AALDH1A1
SCHEMBL746904 0.69 HTR2A (0.38)
SCHEMBL222998 0.68 CHRNA7 (0.35) MEN1KMT2ALMNA

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
EP-2342261-A1 IMPROVED METHOD FOR THE MANUFACTURE OF POLY(ARYL ETHER KETONE)S AND IMPROVED METHOD FOR PROVIDING A SODIUM CARBONATE SUITABLE FOR THE MANUFACTURE OF POLY(ARYL ETHER KETONE)S Solvay Advanced Polymers, L.L.C. (US) 2011-07-13 EP disclosed
WO-2010046487-A1 IMPROVED METHOD FOR THE MANUFACTURE OF POLY(ARYL ETHER KETONE)S AND IMPROVED METHOD FOR PROVIDING A SODIUM CARBONATE SUITABLE FOR THE MANUFACTURE OF POLY(ARYL ETHER KETONE)S SOLVAY ADVANCED POLYMERS, L.L.C. (US) 2010-04-29 WO disclosed