SCHEMBL9723717

SCHEMBL9723717

CCOC(=O)CCc1ccccc1C(=O)OCC

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.67
CYP4A11 Q02928 3/20 0.67
TSHR P16473 2/20 0.62
ALDH1A1 P00352 4/20 0.54
HSD17B10 Q99714 2/20 0.54
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
SCN1A P35498 2/20 0.47
SCN2A Q99250 2/20 0.47
SCN3A Q9NY46 2/20 0.47
CDC25B P30305 1/20 0.47
MAPT P10636 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL23884678 0.87 CYP4F2 (0.67) CYP4F2CYP4A11TSHRALDH1A1LMNA
SCHEMBL9261572 0.87 TSHR (0.62) CYP4F2CYP4A11TSHRALDH1A1HSD17B10
SCHEMBL10723055 0.87 CYP4F2 (0.58) CYP4F2CYP4A11TSHRALDH1A1HSD17B10
SCHEMBL69660 0.86 CYP4F2 (0.86) CYP4F2CYP4A11TSHRALDH1A1HSD17B10
SCHEMBL8733285 0.85 TSHR (0.69) TSHRALDH1A1HSD17B10LMNASCN1A
SCHEMBL1898535 0.83 TSHR (0.67) CYP4F2CYP4A11TSHRALDH1A1HSD17B10
SCHEMBL28938880 0.83 CYP4F2 (0.61) CYP4F2CYP4A11TSHRALDH1A1HSD17B10
SCHEMBL28008696 0.83 CYP4F2 (0.81) CYP4F2CYP4A11TSHRALDH1A1HSD17B10
SCHEMBL578128 0.83 TSHR (0.77) TSHRALDH1A1HSD17B10LMNACDC25B
SCHEMBL16672495 0.82 TSHR (0.65) TSHRALDH1A1HSD17B10LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104854141-B Catalyst components for the polymerization of olefins 巴塞尔聚烯烃意大利有限公司 2020-03-10 CN disclosed
US-5164470-A Polymer compositions SHELL OIL COMPANY (US) 1992-11-17 US disclosed