SCHEMBL7800531

SCHEMBL7800531

CCC1=Cc2c(-c3cccc4c3ccc3ccccc34)cccc2C1[Zr](C)C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.35
KDM4E B2RXH2 1/20 0.31
HTR1A P08908 1/20 0.30
HTR7 P34969 1/20 0.30
HTR2B P41595 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
SLC6A4 P31645 2/20 0.30
DRD2 P14416 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP2A6 P11509 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL7811961 0.83 HPRT1 (0.38) HPRT1KDM4EALDH1A1CYP2A6TSHR
SCHEMBL4065890 0.82 HTR7 (0.32) KDM4EHTR7SLC6A4DRD2ALDH1A1
SCHEMBL28576605 0.81 HPRT1 (0.33) HPRT1KDM4ESLC6A4DRD2
SCHEMBL16175630 0.80 KDM4E (0.32) KDM4EHTR7SLC6A4DRD2ALDH1A1
SCHEMBL1582989 0.80 SLC6A4 (0.33) KDM4EHTR7SLC6A4DRD2ALDH1A1
SCHEMBL27541344 0.79 ALDH1A1 (0.34) ALDH1A1TSHRHSD17B10
Hydrochloric Acid SCHEMBL5604464 0.79 SLC6A4 (0.32) KDM4EHTR7SLC6A4ALDH1A1
SCHEMBL7807191 0.79 BRD4 (0.32)
SCHEMBL6757702 0.77
SCHEMBL13822733 0.77 ALDH1A1 (0.33) ALDH1A1TSHRHSD17B10

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