SCHEMBL7049527

SCHEMBL7049527

CC1=Cc2c(C(C)C)cccc2C1[Zr]1(C2C(C)=Cc3c(C(C)C)cccc32)CCCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
GABRA1 P14867 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2C P28335 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
HTR2B P41595 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34

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
Hydrochloric Acid SCHEMBL6465147 0.99 FAAH (0.33) FAAHCA1CA2LMNACYP1A2
SCHEMBL7049009 0.77 CHRNB2 (0.33) HTR2B
Hydrochloric Acid SCHEMBL6064049 0.75 CHRNB2 (0.33)
Hydrochloric Acid SCHEMBL7129750 0.75 CHRNB2 (0.33)
SCHEMBL7047368 0.75 GABRA1 (0.32) GABRA1GABRB2
SCHEMBL9207240 0.74 HTR2C (0.33) SLC6A2HTR2CHTR2B
Hydrochloric Acid SCHEMBL5152397 0.73 GABRA1 (0.31) GABRA1GABRB2
SCHEMBL7046927 0.73 KDM4E (0.37) CYP1A2CYP3A4HPGDTSHRSLC6A2
Hydrochloric Acid SCHEMBL2582956 0.73 HTR2C (0.35) HTR2CHTR2B
Hydrochloric Acid SCHEMBL3681624 0.73 HTR2C (0.35) HTR2CHTR2B

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
EP-1058694-B1 Catalyst system, method for its production and its use for the polymerisation of olefins BASELL POLYOLEFINE GMBH (DE) 2003-04-09 EP claimed