SCHEMBL21676007

SCHEMBL21676007

CCC(=O)OC[C@H](O)COc1ccc(C)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
USP2 O75604 1/20 0.51
TSHR P16473 1/20 0.51
CYP1A2 P05177 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
ATM Q13315 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PLA2G4B P0C869 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP2D6 P10635 1/20 0.46
RECQL P46063 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL16882091 1.00 POLB (0.53) POLBLMNAMAPTNPSR1USP2
SCHEMBL805315 0.86 MEN1 (0.52) POLBLMNAMAPTNPSR1CYP1A2
SCHEMBL14130193 0.84 HTT (0.56) POLBLMNAMAPTNPSR1USP2
SCHEMBL20328401 0.83 KDM4E (0.57) LMNAMAPTMEN1KMT2APLA2G4B
SCHEMBL14189198 0.83 USP2 (0.68) POLBLMNAMAPTNPSR1USP2
SCHEMBL18309828 0.83 CYP1A2 (0.72) POLBLMNAMAPTNPSR1USP2
SCHEMBL11664192 0.81 KMT2A (0.62) POLBLMNAMAPTNPSR1SMN1; SMN2
SCHEMBL19443225 0.80 L3MBTL1 (0.50) LMNAMAPTNPSR1MEN1KMT2A
SCHEMBL2032040 0.79 POLB (0.54) POLBLMNAMAPTNPSR1USP2
SCHEMBL26704551 0.79 POLB (0.50) POLBLMNAMAPTNPSR1USP2

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-2711381-B1 NOVEL COMPOUND, COMPOSITION CONTAINING SAID COMPOUND, AND CURED PRODUCT MITSUI CHEMICALS INC (JP) 2020-02-05 EP disclosed