SCHEMBL7928351

SCHEMBL7928351

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

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 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 0.89 POLB (0.32) POLBALDH1A1SMN1; SMN2CHRM2CHRM4
SCHEMBL7930864 0.88 POLB (0.33) POLBALDH1A1SMN1; SMN2CHRM2CHRM4
SCHEMBL7927413 0.75
SCHEMBL7927615 0.73
SCHEMBL7928677 0.71 L3MBTL1 (0.30)
SCHEMBL7928589 0.71
SCHEMBL7927119 0.71 ALDH1A1 (0.32) ALDH1A1
SCHEMBL7930813 0.71
Hydrochloric Acid SCHEMBL7927317 0.70 ALDH1A1 (0.33) POLBALDH1A1SMN1; SMN2CHRM2CHRM4
Hydrochloric Acid SCHEMBL7927319 0.69 SMN1; SMN2 (0.37) 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