SCHEMBL7927186

SCHEMBL7927186

CC1=C(C)C(C)=C([Ti](OC(=O)C2CCCCC2)(OC(=O)C2CCCCC2)OC(=O)C2CCCCC2)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
MAPK1 P28482 1/20 0.31
POLB P06746 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31

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
SCHEMBL7927365 0.76 SMN1; SMN2 (0.33) ALDH1A1SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL7930864 0.71 POLB (0.33) ALDH1A1SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL7924767 0.71 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL7927357 0.70
SCHEMBL7925888 0.69 ALDH1A1 (0.38) ALDH1A1
SCHEMBL7927774 0.67 CES2 (0.48) ALDH1A1SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL7928607 0.66 KDM4E (0.30) ALDH1A1MAPK1POLBKDM4E
SCHEMBL7928616 0.66 RAB9A (0.36) SMN1; SMN2CHRM2CHRM4CHRM1CHRM3
SCHEMBL2198986 0.62 CES2 (0.58) ALDH1A1SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL7930970 0.61 CES2 (0.41) 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