SCHEMBL11742802

SCHEMBL11742802

CCCC(=O)C1=C(O)OC(C)(C)OC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 6/20 0.41
▸ ACP1 P24666 3/20 0.41
▸ CDC25B P30305 3/20 0.41
▸ FASN P49327 4/20 0.40
▸ HSD17B3 P37058 1/20 0.34
▸ RECQL P46063 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PTPN2 P17706 1/20 0.34
▸ DUSP3 P51452 1/20 0.34
▸ HPSE Q9Y251 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ PTPN11 Q06124 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ ALOX12 P18054 1/20 0.32

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
SCHEMBL11743094 0.86 FASN (0.40) PTPN1ACP1CDC25BFASNSMN1; SMN2
SCHEMBL3967996 0.69 EGLN1 (0.44) PTPN1TDP1ALDH1A1L3MBTL1
SCHEMBL7401945 0.68 FASN (0.37) PTPN1ACP1CDC25BFASNRECQL
SCHEMBL7402001 0.68 FASN (0.35) FASNSMN1; SMN2ALDH1A1TSHRALOX12
SCHEMBL3170018 0.68 PTPN1 (0.37) PTPN1ACP1CDC25BFASNALDH1A1
SCHEMBL7114676 0.67 PTPN1 (0.74) PTPN1ACP1CDC25BDUSP3ALDH1A1
SCHEMBL28212260 0.67 FASN (0.55) FASNHSD17B3RECQLTDP1SMN1; SMN2
SCHEMBL10537041 0.65 PTPN1 (0.37) PTPN1ACP1CDC25BFASNRECQL
SCHEMBL12033661 0.65 PTPN1 (0.42) PTPN1ACP1CDC25BSMN1; SMN2MAPT
SCHEMBL11621821 0.65 ALDH1A1 (0.46) PTPN1TDP1SMN1; SMN2ALDH1A1HPGD

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
US-4008067-A HERBICIDE NIPPON SODA COMPANY, LIMITED (JA) 1977-02-15 — — US disclosed
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