SCHEMBL7927774

SCHEMBL7927774

O=C(O[Ti](OC(=O)C1CCCCC1)(OC(=O)C1CCCCC1)OC(=O)C1CCCCC1)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 2/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
ELANE P08246 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
MIF P14174 1/20 0.36
HSD11B1 P28845 1/20 0.35

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
SCHEMBL2198986 0.78 CES2 (0.58) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL7930970 0.78 CES2 (0.41) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL6939791 0.76 CES2 (0.55) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL11862575 0.76 CES2 (0.55) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL248821 0.76 CES2 (0.55) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL776566 0.76 CES2 (0.55) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL27553353 0.76 CES2 (0.55) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL2202711 0.75 CES2 (0.53) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL15820828 0.74 CES2 (0.52) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL2597871 0.74 CES2 (0.52) CES2CES1SMN1; SMN2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0867454-B1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN CO (JP) 2001-03-21 EP disclosed
US-6075102-A Polymerization catalyst and process for producing polymers IDEMITSU KOSAN CO., LTD. (JP) 2000-06-13 US disclosed
EP-0867454-A1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN COMPANY LIMITED (JP) 1998-09-30 EP disclosed