SCHEMBL7807233

SCHEMBL7807233

CC1=Cc2cc(CC(C)C)ccc2C1[Zr](C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
PTGS1 P23219 3/20 0.32
PTGS2 P35354 3/20 0.32
CXCR1 P25024 3/20 0.32
CXCR2 P25025 3/20 0.32
LMNA P02545 2/20 0.32
CYP2C9 P11712 2/20 0.32
AKR1C3 P42330 2/20 0.32
ALB P02768 1/20 0.32
ESR1 P03372 1/20 0.32
ALOX5 P09917 1/20 0.32
RARB P10826 1/20 0.32
ADRB3 P13945 1/20 0.32
NFKB1 P19838 1/20 0.32
HTR2A P28223 1/20 0.32
NR1I3 Q14994 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
CXCL8 P10145 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL7597790 0.87 GABRA1 (0.35) GABRA1GABRB2
SCHEMBL7048988 0.84 GABRA1 (0.33) GABRA1GABRB2
SCHEMBL27464415 0.78 GABRA1 (0.38) GABRA1GABRB2PTGS1PTGS2CXCR1
SCHEMBL27550028 0.78 GABRA1 (0.38) GABRA1GABRB2PTGS1PTGS2CXCR1
SCHEMBL7051252 0.78
Hydrochloric Acid SCHEMBL7597788 0.77 GABRA1 (0.37) GABRA1GABRB2
Hydrochloric Acid SCHEMBL7604053 0.77 GABRA1 (0.37) GABRA1GABRB2
Hydrochloric Acid SCHEMBL7165176 0.76 GABRA1 (0.36) GABRA1GABRB2
SCHEMBL7037401 0.76 GABRA1 (0.36) GABRA1GABRB2
SCHEMBL7010411 0.75 GABRA1 (0.35) GABRA1GABRB2

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
CN-1498231-A Propylene polymer for films ����ɭ���ڻ�ѧר����˾ 2004-05-19 CN disclosed
US-20010007009-A1 Transition metal catalyzed polymerization of olefinic monomers in a water-containing polymerization medium BASF AKTIENGESELLSCHAFT (DE) 2001-07-05 US disclosed