SCHEMBL7800533

SCHEMBL7800533

CCC1=C(c2cccc3ccc4ccccc4c23)c2ccccc2C1[Zr](C)C

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SLC6A4 P31645 4/20 0.31
DRD2 P14416 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
SCHEMBL7808023 0.83 HPGD (0.35) ALDH1A1MEN1MAPTRAB9AKMT2A
Hydrochloric Acid SCHEMBL7807241 0.81 HPGD (0.32) ALDH1A1MAPTRAB9ACYP1A2THRB
Hydrochloric Acid SCHEMBL5951873 0.77 SLC6A4 (0.34) MEN1KMT2ASLC6A4DRD2
Hydrochloric Acid SCHEMBL8169167 0.72 CNR1 (0.33) SLC6A4DRD2
SCHEMBL8679845 0.71 ALDH1A1 (0.36) ALDH1A1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL6895641 0.70
Hydrochloric Acid SCHEMBL3275850 0.69 SLC6A4 (0.32) SLC6A4DRD2
Hydrochloric Acid SCHEMBL5953226 0.69 SLC6A4 (0.34) SLC6A4DRD2
Hydrochloric Acid SCHEMBL7800515 0.68 HSD17B10 (0.36) ALDH1A1MEN1MAPTRAB9AKMT2A
Hydrochloric Acid SCHEMBL5952974 0.67 DRD2 (0.30) SLC6A4DRD2

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-20010007009-A1 Transition metal catalyzed polymerization of olefinic monomers in a water-containing polymerization medium BASF AKTIENGESELLSCHAFT (DE) 2001-07-05 US disclosed