SCHEMBL5084002

SCHEMBL5084002

CCOC(=O)c1ccc(CC(O)(Cc2ccccc2)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.61
CYP1A2 P05177 2/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
LMNA P02545 2/20 0.51
CYP3A4 P08684 1/20 0.51
MAOA P21397 1/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 3/20 0.50
NAMPT P43490 1/20 0.50
POLB P06746 1/20 0.49
RAB9A P51151 2/20 0.49
GAA P10253 2/20 0.49
NPC1 O15118 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
ESR1 P03372 1/20 0.49
CA7 P43166 1/20 0.49

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
SCHEMBL4445509 0.96 SMN1; SMN2 (0.58) SMN1; SMN2CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL4325829 0.80 SMN1; SMN2 (0.73) SMN1; SMN2CYP1A2LMNACYP3A4MAOA
Benzene SCHEMBL27873122 0.78 CA1 (0.76) SMN1; SMN2CYP1A2LMNACYP3A4MAOA
SCHEMBL4643521 0.77 LMNA (0.59) SMN1; SMN2CYP1A2LMNACYP3A4MAOA
SCHEMBL8993035 0.77 SMN1; SMN2 (0.59) SMN1; SMN2CYP1A2LMNACYP3A4MAOA
SCHEMBL25340300 0.77 SMN1; SMN2 (0.69) SMN1; SMN2CYP1A2LMNACYP3A4MAOA
SCHEMBL11408485 0.77 KMT2A (0.76) SMN1; SMN2CYP1A2LMNACYP3A4MAOA
SCHEMBL12771413 0.77 LMNA (0.62) SMN1; SMN2CYP1A2LMNACYP3A4MAOA
Ethyl Benzoate SCHEMBL11224187 0.76 LMNA (0.61) SMN1; SMN2CYP1A2LMNACYP3A4MAOA
SCHEMBL17940713 0.76 SMN1; SMN2 (0.57) SMN1; SMN2CYP1A2LMNACYP3A4MAOA

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-1937407-A1 SOLUTIONS OF ANHYDROUS LANTHANIDE SALTS AND ITS PREPARATION Ludwig-Maximilians-Universität München (DE) 2008-07-02 EP disclosed
WO-2007026014-A1 SOLUTIONS OF ANHYDROUS LANTHANIDE SALTS AND ITS PREPARATION LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE) 2007-03-08 WO disclosed