SCHEMBL10693944

SCHEMBL10693944

C=CCc1c(O)ccc(C(=O)O)c1CC=C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.45
SELL P14151 1/20 0.44
SELP P16109 1/20 0.44
XDH P47989 1/20 0.40
KDM4E B2RXH2 4/20 0.39
GAA P10253 2/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
MAPT P10636 2/20 0.39
ALDH2 P05091 1/20 0.39
AKR1B1 P15121 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL996835 0.90 CYP1A2 (0.44) SRD5A1SELLSELPKDM4EGAA
SCHEMBL8772734 0.90 SRD5A1 (0.41) SRD5A1SELLSELPXDHKDM4E
SCHEMBL6526829 0.87 SELL (0.52) SRD5A1SELLSELPXDHKDM4E
SCHEMBL2925754 0.87 SELL (0.52) SRD5A1SELLSELPXDHKDM4E
SCHEMBL9747339 0.86 SRD5A1 (0.43) SRD5A1SELLSELPXDHKDM4E
SCHEMBL8772614 0.86 SLC22A6 (0.44) SRD5A1SELLSELPXDHKDM4E
SCHEMBL1479090 0.84 ALDH1A1 (0.48) SRD5A1KDM4EGAATSHRSMN1; SMN2
SCHEMBL788899 0.83 SELL (0.45) SRD5A1SELLSELPKDM4EGAA
SCHEMBL323547 0.82 XDH (0.54) SRD5A1XDHKDM4EGAAALDH1A1
SCHEMBL1349070 0.81 GAA (0.39) SRD5A1KDM4EGAATSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113242866-B Binder composition for all-solid secondary battery 日本瑞翁株式会社 2023-06-09 CN disclosed
US-4727103-A IMPROVED OXIDATION RESISTANCE MALLINCKRODT, INC. (US) 1988-02-23 US disclosed
EP-0076067-B1 ISOCYANURIC ACID DERIVATIVES, THEIR PREPARATION AND USE IN STABILIZING ORGANIC SUBSTANCES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-01-07 EP disclosed
US-4680325-A Anti-oxidant isocyanurate ester of thioamidophenol and polyolefins stabilized therewith MALLINCKRODT, INC. (US) 1987-07-14 US disclosed
US-4569959-A OXIDATION RESISTANCE, HEAT RESISTANCE MALLINCKRODT, INC. (US) 1986-02-11 US disclosed
US-3941745-A STABILIZERS CIBA-GEIGY CORPORATION (US) 1976-03-02 US disclosed