SCHEMBL11218217

SCHEMBL11218217

CCOC(=O)C(CCCCC(C)C1CCCC1)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ TSHR P16473 3/20 0.42
▸ TDP1 Q9NUW8 4/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ L3MBTL1 Q9Y468 6/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ PTPN1 P18031 1/20 0.37
▸ METAP2 P50579 1/20 0.36

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
SCHEMBL6871413 0.80 ALDH1A1 (0.44) ALDH1A1TSHRNPSR1L3MBTL1METAP2
SCHEMBL11218222 0.79 CPB2 (0.33) ALDH1A1TSHRMAPT
SCHEMBL11024454 0.79 METAP2 (0.45) TDP1MEN1KMT2AL3MBTL1MAPT
SCHEMBL11655565 0.78 TDP1 (0.56) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL11020183 0.77 METAP2 (0.44) TSHRTDP1MEN1KMT2AL3MBTL1
SCHEMBL11024026 0.77 METAP2 (0.47) ALDH1A1TDP1MEN1KMT2AMETAP2
SCHEMBL9764588 0.77 TSHR (0.40) ALDH1A1TSHRTDP1KMT2ANPSR1
SCHEMBL6564298 0.77 L3MBTL1 (0.42) ALDH1A1TSHRKMT2ANPSR1L3MBTL1
SCHEMBL8330297 0.77 METAP2 (0.46) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL21073906 0.76 TDP1 (0.55) ALDH1A1TSHRTDP1MEN1KMT2A

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
WO-1982000822-A1 SUBSTITUTED OXIRANECARBOXYLIC ACIDS,THEIR PREPARATION AND THEIR USE AS MEDICAMENTS EISTETTER K 1982-03-18 — — WO disclosed
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