SCHEMBL7925573

SCHEMBL7925573

O=C(O[Ti]1(OC(=O)C(c2ccccc2)(c2ccccc2)c2ccccc2)C2c3ccccc3-c3cccc(c32)CCc2cccc3c2C1c1ccccc1-3)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.36
HTT P42858 1/20 0.32
CYP2D6 P10635 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
SLC6A4 P31645 1/20 0.31
KCNH2 Q12809 1/20 0.31
SRD5A1 P18405 1/20 0.30
SRD5A2 P31213 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 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
SCHEMBL7925772 0.93 KCNN4 (0.36) KCNN4SRD5A2MEN1KMT2AATM
SCHEMBL7925878 0.86 MEN1 (0.35) MEN1KMT2A
SCHEMBL7927567 0.82 KCNN4 (0.38) KCNN4MEN1KMT2AATM
SCHEMBL7928586 0.81 HTT (0.39) HTTSRD5A1SRD5A2MEN1KMT2A
SCHEMBL7925574 0.81 POLB (0.42) MEN1KMT2A
SCHEMBL7924812 0.79 HTR2A (0.35) CYP2D6SLC6A4SRD5A2MEN1KMT2A
SCHEMBL7927183 0.78 DRD1 (0.37) HTTMEN1KMT2A
SCHEMBL7919279 0.78 ALDH1A1 (0.34) HTTCHRM2CHRM1CHRM3KMT2A
SCHEMBL7930914 0.78 ACHE (0.31) HTTCHRM2CHRM1CHRM3
SCHEMBL7925516 0.77 POLB (0.35) HTTMEN1KMT2A

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