SCHEMBL7927359

SCHEMBL7927359

CC1C2=C(CCCC2)C2=C1C([Ti+2]OC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)CCC2.C[O-].C[O-]

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.35
ALDH1A1 P00352 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
Hydrochloric Acid SCHEMBL7930903 0.97 KCNN4 (0.36) KCNN4ALDH1A1
SCHEMBL7928350 0.84 LMNA (0.33) ALDH1A1
SCHEMBL7919238 0.82 KCNN4 (0.42) KCNN4ALDH1A1
SCHEMBL7919241 0.82 KCNN4 (0.36) KCNN4ALDH1A1
SCHEMBL8173106 0.81 PKM (0.37) ALDH1A1
SCHEMBL7919162 0.81
SCHEMBL7930527 0.80 KCNN4 (0.35) KCNN4ALDH1A1
SCHEMBL7931066 0.78
Hydrochloric Acid SCHEMBL7930546 0.77 KCNN4 (0.35) KCNN4ALDH1A1
Hydrochloric Acid SCHEMBL7930549 0.77 KCNN4 (0.41) KCNN4

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
EP-0867454-A1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN COMPANY LIMITED (JP) 1998-09-30 EP disclosed