SCHEMBL7930864

SCHEMBL7930864

CC1=C(C)C(C)(C)C([Ti](OC(=O)C2CCCCC2)(OC(=O)C2CCCCC2)OC(=O)C2CCCCC2)=C1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPK1 P28482 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
NPC1 O15118 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30

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
SCHEMBL7927226 0.88 POLB (0.32) POLBALDH1A1SMN1; SMN2CHRM2CHRM4
SCHEMBL7928351 0.88 POLB (0.32) POLBALDH1A1SMN1; SMN2CHRM2CHRM4
SCHEMBL7928119 0.73
Hydrochloric Acid SCHEMBL7927317 0.72 ALDH1A1 (0.33) POLBALDH1A1SMN1; SMN2CHRM2CHRM4
SCHEMBL7927186 0.71 ALDH1A1 (0.34) POLBALDH1A1SMN1; SMN2CHRM2CHRM4
Hydrochloric Acid SCHEMBL7927319 0.71 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL8169909 0.71 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2CHRM2CHRM4CHRM1
Hydrochloric Acid SCHEMBL7919467 0.71 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL7924767 0.70 ALDH1A1 (0.33) POLBALDH1A1SMN1; SMN2CHRM2CHRM4
SCHEMBL7927420 0.70 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2CHRM2CHRM4CHRM1

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