SCHEMBL7924767

SCHEMBL7924767

CC1=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
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPK1 P28482 1/20 0.31
POLB P06746 2/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
RECQL P46063 1/20 0.30
TSHR P16473 1/20 0.30
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
SCHEMBL7928607 0.82 KDM4E (0.30) ALDH1A1MAPK1POLB
SCHEMBL727844 0.72 HDAC8 (0.37) ALDH1A1SMN1; SMN2KMT2AMAPK1TSHR
SCHEMBL7928343 0.71 KDM4E (0.31) ALDH1A1SMN1; SMN2POLB
SCHEMBL7927186 0.71 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL6469289 0.71 HDAC8 (0.36) ALDH1A1SMN1; SMN2KMT2AMAPK1TSHR
SCHEMBL7622820 0.71 HDAC8 (0.36) ALDH1A1SMN1; SMN2KMT2AMAPK1TSHR
SCHEMBL7930864 0.70 POLB (0.33) ALDH1A1SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL7925448 0.69
SCHEMBL7925033 0.69 ALDH1A1 (0.35) ALDH1A1
SCHEMBL7927365 0.69 SMN1; SMN2 (0.33) 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