SCHEMBL31344745

SCHEMBL31344745

CCCCOC(COC(=O)c1ccccc1C(=O)O)OCCCC

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.60
TDP1 Q9NUW8 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
CYP3A4 P08684 3/20 0.55
MAPK1 P28482 3/20 0.55
TP53 P04637 1/20 0.55
ALDH1A1 P00352 10/20 0.55
CA2 P00918 1/20 0.55
LMNA P02545 2/20 0.54
PRSS1 P07477 1/20 0.52
PRSS2 P07478 1/20 0.52
PRSS3 P35030 1/20 0.52
HSD17B10 Q99714 2/20 0.50
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.45
PTPN11 Q06124 1/20 0.43

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
SCHEMBL3807597 1.00 TSHR (0.60) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL6562519 0.95 ALDH1A1 (0.62) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL6560832 0.95 ALDH1A1 (0.62) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL6561233 0.95 ALDH1A1 (0.62) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL6561575 0.95 ALDH1A1 (0.62) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL6561534 0.95 ALDH1A1 (0.62) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL6561490 0.95 ALDH1A1 (0.62) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL6561601 0.95 ALDH1A1 (0.62) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL6560966 0.95 ALDH1A1 (0.62) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL809561 0.94 TSHR (0.68) TSHRTDP1L3MBTL1CYP3A4MAPK1

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-4465384-A1 NEGATIVE ELECTRODE ACTIVE MATERIAL AND NEGATIVE ELECTRODE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-11-20 EP disclosed