SCHEMBL11867397

SCHEMBL11867397

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
HCAR2 Q8TDS4 3/20 0.44
ALDH1A1 P00352 3/20 0.43
TSHR P16473 6/20 0.40
HPGD P15428 1/20 0.39
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
ESR1 P03372 2/20 0.33
CYP3A4 P08684 2/20 0.33
MAPK1 P28482 2/20 0.33
NAAA Q02083 1/20 0.33
HSD17B10 Q99714 1/20 0.32
FAAH O00519 1/20 0.32
TP53 P04637 1/20 0.32
RAD52 P43351 1/20 0.32

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
SCHEMBL27388670 0.88 TSHR (0.30) ATMHCAR2TSHR
SCHEMBL28169972 0.87 ATM (0.47) ATMHCAR2ALDH1A1TSHRHPGD
SCHEMBL28514191 0.86 ACHE (0.33) HCAR2TSHR
SCHEMBL27747549 0.85 ALDH1A1 (0.50) ATMHCAR2ALDH1A1TSHRHPGD
SCHEMBL10448731 0.80 ATM (0.45) ATMHCAR2ALDH1A1TSHRHPGD
SCHEMBL28170211 0.79 HCAR2 (0.54) ATMHCAR2ALDH1A1TSHRHPGD
SCHEMBL28169721 0.79 HCAR2 (0.54) ATMHCAR2ALDH1A1TSHRHPGD
SCHEMBL21360132 0.79 TSHR (0.56) ATMHCAR2ALDH1A1TSHRNPSR1
SCHEMBL21817064 0.79 TSHR (0.56) ATMHCAR2ALDH1A1TSHRNPSR1
SCHEMBL4356482 0.79 TSHR (0.56) ATMHCAR2ALDH1A1TSHRNPSR1

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
US-3939110-A Aqueous polyelectrolytic electrocoating materials of organic resins AMERICAN CAN COMPANY (US) 1976-02-17 US disclosed