SCHEMBL23864812

SCHEMBL23864812

C=CCOCCOC(=O)c1ccccc1CCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.51
▸ ALDH1A1 P00352 5/20 0.46
▸ TSHR P16473 5/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ SCN1A P35498 2/20 0.43
▸ SCN2A Q99250 2/20 0.43
▸ SCN3A Q9NY46 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38

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
SCHEMBL6849113 0.84 CYP3A4 (0.71) CYP3A4ALDH1A1TSHRHSD17B10LMNA
SCHEMBL8167933 0.78 CYP3A4 (0.83) CYP3A4ALDH1A1TSHRHSD17B10LMNA
SCHEMBL22672755 0.78 CYP3A4 (0.61) CYP3A4ALDH1A1TSHRHSD17B10LMNA
SCHEMBL5880738 0.77 PTGER1 (0.42) CYP3A4ALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL9500453 0.77 CYP3A4 (0.51) CYP3A4ALDH1A1TSHRHSD17B10SCN1A
SCHEMBL8469179 0.77 TDP1 (0.58) CYP3A4ALDH1A1TSHRHSD17B10LMNA
SCHEMBL9261572 0.76 TSHR (0.62) ALDH1A1TSHRHSD17B10SCN1ASCN2A
Succinic Acid SCHEMBL28093797 0.75 CYP3A4 (0.83) CYP3A4ALDH1A1TSHRHSD17B10LMNA
SCHEMBL28221021 0.75 AKT1 (0.46) CYP3A4ALDH1A1HSD17B10LMNASMN1; SMN2
Succinic Acid SCHEMBL28093798 0.75 CYP3A4 (0.83) CYP3A4ALDH1A1TSHRHSD17B10LMNA

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-3538617-B1 SOLDER MASK INKJET INKS FOR MANUFACTURING PRINTED CIRCUIT BOARDS AGFA GEVAERT NV (BE) 2021-09-29 — — EP disclosed
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