SCHEMBL2355459

SCHEMBL2355459

O=P(O)(O)OC1(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2CC1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.42
ALOX15 P16050 3/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX12 P18054 1/20 0.42
CYP2C19 P33261 1/20 0.42
BACE1 P56817 6/20 0.40
KDM4E B2RXH2 5/20 0.40
PKM P14618 4/20 0.40
GAA P10253 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.40
RECQL P46063 3/20 0.40
SNCA P37840 3/20 0.40
ALDH1A1 P00352 2/20 0.40
APEX1 P27695 2/20 0.40
ALPL P05186 2/20 0.40
POLB P06746 2/20 0.40
APP P05067 2/20 0.40
CYP3A4 P08684 2/20 0.40

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
SCHEMBL540756 0.84 PTGS2 (0.47) HSD17B10ALOX15CYP2C9ALOX12CYP2C19
SCHEMBL6213448 0.75 BACE1 (0.44) HSD17B10ALOX15CYP2C9ALOX12CYP2C19
SCHEMBL6262789 0.75 BACE1 (0.46) HSD17B10ALOX15CYP2C9ALOX12CYP2C19
SCHEMBL4728425 0.75 BACE1 (0.46) HSD17B10ALOX15CYP2C9ALOX12CYP2C19
SCHEMBL14392073 0.75 BACE1 (0.46) HSD17B10ALOX15CYP2C9ALOX12CYP2C19
SCHEMBL6262620 0.75 BACE1 (0.46) HSD17B10ALOX15CYP2C9ALOX12CYP2C19
SCHEMBL6262786 0.75 BACE1 (0.46) HSD17B10ALOX15CYP2C9ALOX12CYP2C19
SCHEMBL20169853 0.75 BACE1 (0.46) HSD17B10ALOX15CYP2C9ALOX12CYP2C19
SCHEMBL1578287 0.74 BACE1 (0.43) HSD17B10ALOX15CYP2C9ALOX12CYP2C19
SCHEMBL809418 0.74 BACE1 (0.43) HSD17B10ALOX15CYP2C9ALOX12CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004168-B1 STABLE ORAL PHARMACEUTICAL COMPOSITION CONTAINING THYROID HORMONE RECEPTOR AGONISTS KAROBIO AB (SE) 2011-08-03 EP disclosed