SCHEMBL7919238

SCHEMBL7919238

C[O-].C[O-].O=C(O[Ti+2]C1C2=C(CCCC2)C2=C1CCCC2)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.42
SLC6A4 P31645 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CHRM3 P20309 9/20 0.31
CHRM2 P08172 6/20 0.31
LMNA P02545 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
KCNH2 Q12809 1/20 0.31
ALDH1A1 P00352 2/20 0.30
SLC22A1 O15245 1/20 0.30
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 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 SCHEMBL7930549 0.95 KCNN4 (0.41) KCNN4SLC6A4SLC6A2SLC6A3CHRM3
SCHEMBL7927359 0.82 KCNN4 (0.35) KCNN4ALDH1A1
SCHEMBL7919241 0.80 KCNN4 (0.36) KCNN4CHRM3ALDH1A1
SCHEMBL7927636 0.80 TSHR (0.38) SLC6A4SLC6A2SLC6A3CHRM3CHRM2
Hydrochloric Acid SCHEMBL7930903 0.78 KCNN4 (0.36) KCNN4ALDH1A1
SCHEMBL7924937 0.77 KCNN4 (0.42) KCNN4SLC6A4SLC6A2SLC6A3CHRM3
SCHEMBL7924675 0.75 KCNN4 (0.43) KCNN4SLC6A4SLC6A2SLC6A3CHRM3
SCHEMBL7927204 0.75 KCNN4 (0.43) KCNN4SLC6A4SLC6A2SLC6A3CHRM3
Hydrochloric Acid SCHEMBL7930546 0.75 KCNN4 (0.35) KCNN4ALDH1A1
SCHEMBL7925479 0.75 KCNN4 (0.41) KCNN4SLC6A4SLC6A2SLC6A3CHRM3

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 2 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