SCHEMBL7925855

SCHEMBL7925855

C[O-].C[O-].O=C(O[Ti+2]C1C2=C(CCCC2)C2=C1CCCC2)C1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
RXFP1 Q9HBX9 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 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
Hydrochloric Acid SCHEMBL7919185 0.94 POLB (0.35) POLBKDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL7927131 0.79
SCHEMBL7925858 0.78
Hydrochloric Acid SCHEMBL7927206 0.75
Hydrochloric Acid SCHEMBL7930888 0.74
SCHEMBL7931155 0.73 POLB (0.33) POLBKDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL7930308 0.73 ALDH1A1 (0.32) ALDH1A1
SCHEMBL7927207 0.71 CES2 (0.42) POLBALDH1A1SMN1; SMN2CHRM2CHRM4
Hydrochloric Acid SCHEMBL7919181 0.71 RBBP9 (0.30)
Hydrochloric Acid SCHEMBL7927372 0.71

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