SCHEMBL7722398

SCHEMBL7722398

Cc1cccc2c1C=C(c1ccco1)C2[Hf](Cl)(Cl)C1C(c2ccco2)=Cc2c(C)cccc21

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 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
S1PR4 O95977 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL7730997 0.80 SMARCA2 (0.35) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL7731189 0.78 ALDH1A1 (0.31) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL7065731 0.78 ALDH1A1 (0.31) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL7734561 0.77 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2KDM4EHPGDMEN1
SCHEMBL7061670 0.77 CHRM2 (0.33) ALDH1A1KDM4EHPGDCHRM2CHRM4
Hydrochloric Acid SCHEMBL7065728 0.76 ALDH1A1 (0.34) ALDH1A1CHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL7722394 0.76 ALDH1A1 (0.34) ALDH1A1HPGDCHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL7731186 0.76 ALDH1A1 (0.34) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL7059575 0.62 CHRM2 (0.33) ALDH1A1KDM4EHPGDCHRM2CHRM4
SCHEMBL1132843 0.62 TAAR1 (0.45) ALDH1A1SMN1; SMN2KDM4EHPGDS1PR4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6479646-B1 Metallocene compounds having indenyl ligand and catalysts for olefin polymerization containing the same CHISSO CORPORATION (JP) 2002-11-12 US disclosed