SCHEMBL8645658

SCHEMBL8645658

CCCCOC(=O)C=C(C)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.59
HCAR2 Q8TDS4 4/20 0.56
TSHR P16473 5/20 0.55
HPGD P15428 1/20 0.55
ALDH1A1 P00352 2/20 0.52
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
APP P05067 1/20 0.39
NAAA Q02083 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ESR1 P03372 1/20 0.37
CYP3A4 P08684 1/20 0.36
EPHX1 P07099 1/20 0.36

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
SCHEMBL8645656 1.00 ATM (0.59) ATMHCAR2TSHRHPGDALDH1A1
SCHEMBL598744 1.00 ATM (0.59) ATMHCAR2TSHRHPGDALDH1A1
SCHEMBL11744194 0.94 HCAR2 (0.58) ATMHCAR2TSHRHPGDALDH1A1
SCHEMBL11746537 0.94 HCAR2 (0.58) ATMHCAR2TSHRHPGDALDH1A1
Methacrylic Acid SCHEMBL8425163 0.93 TSHR (0.53) ATMHCAR2TSHRHPGDALDH1A1
Methacrylic Acid SCHEMBL8425164 0.93 TSHR (0.53) ATMHCAR2TSHRHPGDALDH1A1
SCHEMBL15610424 0.93 HCAR2 (0.59) ATMHCAR2TSHRHPGDALDH1A1
SCHEMBL29124286 0.93 HCAR2 (0.59) ATMHCAR2TSHRHPGDALDH1A1
SCHEMBL27725777 0.93 HCAR2 (0.59) ATMHCAR2TSHRHPGDALDH1A1
SCHEMBL1087614 0.88 HCAR2 (0.53) ATMHCAR2TSHRHPGDALDH1A1

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-0862093-A1 Low hardness conductive roll TOKAI RUBBER INDUSTRIES, LTD. (JP) 1998-09-02 EP disclosed