SCHEMBL128407

SCHEMBL128407

[CH2]CCC(C)COC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 4/20 0.38
▸ ALDH1A1 P00352 5/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ USP2 O75604 4/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ HPGD P15428 1/20 0.37
▸ RECQL P46063 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ CHRM5 P08912 2/20 0.31
▸ CHRM1 P11229 2/20 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
SCHEMBL22689608 0.86 TDP1 (0.45) TDP1ALOX15TSHRALDH1A1LMNA
SCHEMBL2530412 0.82 — —
SCHEMBL9756912 0.81 TDP1 (0.48) TDP1ALOX15TSHRALDH1A1LMNA
SCHEMBL11619041 0.80 ALOX15 (0.58) TDP1ALOX15TSHRALDH1A1LMNA
SCHEMBL15542591 0.80 PTPN1 (0.42) TDP1ALOX15TSHRALDH1A1LMNA
SCHEMBL8336829 0.80 TDP1 (0.41) TDP1ALOX15TSHRALDH1A1LMNA
SCHEMBL1985053 0.80 ALDH1A1 (0.44) TDP1ALOX15TSHRALDH1A1LMNA
SCHEMBL25342022 0.78 ALDH1A1 (0.42) TDP1ALOX15TSHRALDH1A1LMNA
SCHEMBL19248370 0.78 ALDH1A1 (0.42) TDP1ALOX15TSHRALDH1A1LMNA
SCHEMBL28994092 0.78 TDP1 (0.39) TDP1ALOX15TSHRALDH1A1LMNA

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-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 — — EP disclosed
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