SCHEMBL9618569

SCHEMBL9618569

CCCCCOC(=O)c1cc(C(=O)O)ccc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.59
TP53 P04637 2/20 0.59
CYP3A4 P08684 1/20 0.59
MAPK1 P28482 1/20 0.59
ALDH1A1 P00352 3/20 0.58
LMNA P02545 1/20 0.58
NPC1 O15118 1/20 0.54
MAPT P10636 1/20 0.54
RAB9A P51151 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PTPN11 Q06124 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
PPARA Q07869 1/20 0.52
GPR35 Q9HC97 1/20 0.52
PLA2G4B P0C869 1/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL17713229 0.98 TSHR (0.60) TSHRTP53CYP3A4MAPK1ALDH1A1
SCHEMBL5431049 0.98 TSHR (0.60) TSHRTP53CYP3A4MAPK1ALDH1A1
SCHEMBL336160 0.98 TSHR (0.60) TSHRTP53CYP3A4MAPK1ALDH1A1
SCHEMBL3765761 0.98 TSHR (0.60) TSHRTP53CYP3A4MAPK1ALDH1A1
SCHEMBL15224 0.98 TSHR (0.60) TSHRTP53CYP3A4MAPK1ALDH1A1
SCHEMBL436299 0.98 TSHR (0.60) TSHRTP53CYP3A4MAPK1ALDH1A1
SCHEMBL3772965 0.98 TSHR (0.60) TSHRTP53CYP3A4MAPK1ALDH1A1
SCHEMBL3830597 0.97 TSHR (0.57) TSHRTP53CYP3A4MAPK1ALDH1A1
SCHEMBL25219274 0.95 TSHR (0.62) TSHRTP53CYP3A4MAPK1ALDH1A1
SCHEMBL828469 0.94 TSHR (0.67) TSHRTP53CYP3A4MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-53052544-A None JP disclosed
JP-4312707-A None JP disclosed
CN-109563306-A Plasticizer composition 巴斯夫欧洲公司 2019-04-02 CN disclosed
JP-H04312707-A INSULATED WIRE FIT FOR WINDING PROCESS FURUKAWA ELECTRIC CO LTD:THE 1992-11-04 JP disclosed
JP-S5352544-A PREPARATION F ELECTRIC INSULATION COATING FURUKAWA ELECTRIC CO LTD:THE 1978-05-13 JP disclosed