SCHEMBL7930968

SCHEMBL7930968

C[O-].O=C(O[Ti+](OC(=O)C1CCCCC1)OC(=O)C1CCCCC1)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 3/20 0.39
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 2/20 0.35
RECQL P46063 1/20 0.35
POLB P06746 3/20 0.35
ELANE P08246 1/20 0.34
NPC1 O15118 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL7927207 0.74 CES2 (0.42) CES2CES1SMN1; SMN2ALDH1A1HDAC8
SCHEMBL2198986 0.73 CES2 (0.58) CES2CES1SMN1; SMN2ALDH1A1HDAC8
SCHEMBL30542347 0.72 SMN1; SMN2 (0.68) CES2CES1SMN1; SMN2ALDH1A1HDAC8
SCHEMBL7119913 0.72 SMN1; SMN2 (0.68) CES2CES1SMN1; SMN2ALDH1A1HDAC8
SCHEMBL30542346 0.72 SMN1; SMN2 (0.68) CES2CES1SMN1; SMN2ALDH1A1HDAC8
SCHEMBL18760457 0.72 SMN1; SMN2 (0.68) CES2CES1SMN1; SMN2ALDH1A1HDAC8
SCHEMBL18552 0.72 SMN1; SMN2 (0.68) CES2CES1SMN1; SMN2ALDH1A1HDAC8
SCHEMBL15443235 0.72 SMN1; SMN2 (0.68) CES2CES1SMN1; SMN2ALDH1A1HDAC8
SCHEMBL1818944 0.72 SMN1; SMN2 (0.68) CES2CES1SMN1; SMN2ALDH1A1HDAC8
SCHEMBL12326212 0.72 SMN1; SMN2 (0.68) CES2CES1SMN1; SMN2ALDH1A1HDAC8

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