SCHEMBL7924675

SCHEMBL7924675

C[Ti](C)(OC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)C1C2=C(CCCC2)C2=C1CCCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.43
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
CHRM3 P20309 11/20 0.33
ALDH1A1 P00352 2/20 0.33
CHRM2 P08172 5/20 0.32
CHRM1 P11229 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
HRH1 P35367 1/20 0.32
HTR2B P41595 1/20 0.32
KCNH2 Q12809 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL7927204 0.90 KCNN4 (0.43) KCNN4KEAP1NFE2L2CHRM3ALDH1A1
SCHEMBL7925479 0.86 KCNN4 (0.41) KCNN4KEAP1NFE2L2CHRM3CHRM2
SCHEMBL7925511 0.81 KCNN4 (0.35) KCNN4ALDH1A1
SCHEMBL7924736 0.80 TSHR (0.39) CHRM3ALDH1A1CHRM2CHRM1SLC6A2
SCHEMBL7924672 0.79 KCNN4 (0.36) KCNN4ALDH1A1
SCHEMBL7927667 0.79
SCHEMBL7925910 0.76 KCNN4 (0.35) KCNN4ALDH1A1
SCHEMBL7919238 0.75 KCNN4 (0.42) KCNN4KEAP1NFE2L2CHRM3ALDH1A1
SCHEMBL7930990 0.75 KCNN4 (0.39) KCNN4
Hydrochloric Acid SCHEMBL7930549 0.75 KCNN4 (0.41) KCNN4KEAP1NFE2L2CHRM3CHRM2

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