SCHEMBL19091086

SCHEMBL19091086

COC(=O)CCOCCCC(C)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ LMNA P02545 2/20 0.34
▸ CA12 O43570 2/20 0.34
▸ CA14 Q9ULX7 2/20 0.34
▸ SLC1A1 P43005 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ PPARG P37231 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ PABPC1 P11940 1/20 0.33
▸ APOBEC3A P31941 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33

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
SCHEMBL27274544 0.82 TSHR (0.61) TSHRL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL4958389 0.82 TSHR (0.61) TSHRL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL19091265 0.81 GABRP (0.39) TSHRALDH1A1LMNACYP1A2
SCHEMBL16668510 0.80 TSHR (0.58) TSHRL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL4530697 0.80 TSHR (0.58) TSHRL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL28305335 0.80 TSHR (0.64) TSHRALDH1A1MEN1KMT2ALMNA
SCHEMBL8863084 0.79 HSD17B10 (0.40) TSHRALDH1A1MEN1KMT2ACYP3A4
SCHEMBL4060095 0.79 TSHR (0.67) TSHRALDH1A1MEN1KMT2ALMNA
SCHEMBL17883542 0.79 TSHR (0.56) TSHRL3MBTL1ALDH1A1KMT2ALMNA
SCHEMBL15216418 0.79 TSHR (0.56) TSHRL3MBTL1ALDH1A1KMT2ALMNA

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-2017116954-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2017-07-06 — — WO disclosed
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