SCHEMBL9065700

SCHEMBL9065700

CCOC(=O)C(CC)C(=O)OCCCl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 4/20 0.37
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 2/20 0.34
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.33
MMP8 P22894 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL27464856 0.88 TDP1 (0.42) TDP1MEN1KMT2AALDH1A1LMNA
SCHEMBL27506940 0.86 TDP1 (0.41) TDP1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6080786 0.85 TDP1 (0.41) TDP1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6080996 0.85 TDP1 (0.41) TDP1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL230068 0.84 ALDH1A1 (0.50) TDP1MEN1KMT2AALDH1A1LMNA
SCHEMBL28158944 0.83 ALDH1A1 (0.31) ALDH1A1LMNAHSD17B10TSHR
SCHEMBL27964966 0.83 ALDH1A1 (0.40) TDP1MEN1KMT2AALDH1A1LMNA
SCHEMBL452623 0.83 ALDH1A1 (0.40) TDP1MEN1KMT2AALDH1A1LMNA
Ammonia Solution, Strong SCHEMBL27830684 0.82 ALDH1A1 (0.48) TDP1MEN1KMT2AALDH1A1LMNA
SCHEMBL28054134 0.82 ALDH1A1 (0.48) TDP1MEN1KMT2AALDH1A1LMNA

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
US-5569780-A Dialkyl 2-haloethyl malonates HULS AKTIENGESELLSCHAFT (DE) 1996-10-29 US disclosed
US-5463111-A Process for preparing dialkyl 2-haloethyl malonates HULS AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed