SCHEMBL27498360

SCHEMBL27498360

COCCC(O)C(C)COC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ USP2 O75604 3/20 0.34
▸ CYP3A4 P08684 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ RECQL P46063 1/20 0.34
▸ ALDH1A1 P00352 5/20 0.33
▸ HPGD P15428 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HSD17B10 Q99714 2/20 0.32
▸ CHRM5 P08912 2/20 0.31
▸ CHRM1 P11229 2/20 0.31
▸ CHRM3 P20309 2/20 0.31
▸ PGR P06401 1/20 0.31
▸ CHRM2 P08172 1/20 0.31

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
SCHEMBL13623332 0.80 TDP1 (0.42) TDP1ALOX15USP2CYP3A4MAPT
SCHEMBL3841838 0.79 ALDH1A1 (0.42) TDP1ALOX15USP2CYP3A4MAPT
SCHEMBL11618596 0.77 ALDH1A1 (0.50) TDP1ALOX15USP2CYP3A4MAPT
SCHEMBL13953733 0.76 ALDH1A1 (0.42) TDP1ALOX15USP2CYP3A4MAPT
SCHEMBL28501027 0.76 ALDH1A1 (0.42) TDP1ALOX15USP2CYP3A4MAPT
SCHEMBL23683335 0.74 ALOX15 (0.48) TDP1ALOX15USP2CYP3A4MAPT
SCHEMBL9152182 0.73 TDP1 (0.43) TDP1ALOX15USP2CYP3A4MAPT
SCHEMBL11359297 0.73 PRKCA (0.40) TDP1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL14665241 0.72 ALOX15 (0.61) ALOX15SMN1; SMN2LMNAALDH1A1HSD17B10
SCHEMBL15333547 0.72 HSD17B10 (0.47) TDP1ALOX15USP2CYP3A4MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1216023-C Method for preparing trans-(+)-hydrated pinanol UNIV HUNAN (CN) 2005-08-24 — — CN disclosed
CN-1435402-A Method for preparing trans-(+)-hydrated pinanol UNIV HUNAN (CN) 2003-08-13 — — CN disclosed
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