SCHEMBL7089891

SCHEMBL7089891

CC(C)c1cccc(C(C)C)c1/N=C/c1cccc(C=O)n1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.32
GABRA1 P14867 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
FAAH O00519 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
GABRB1 P18505 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
HTR2B P41595 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 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
SCHEMBL7089893 1.00 LMNA (0.32) LMNAGABRA1GABRG2GABRB3FAAH
SCHEMBL3687037 0.92 GABRA1 (0.38) LMNAGABRA1GABRG2GABRB3FAAH
SCHEMBL6906495 0.92 GABRA1 (0.38) LMNAGABRA1GABRG2GABRB3FAAH
SCHEMBL5587893 0.90 GABRA1 (0.36) LMNAGABRA1GABRG2GABRB3FAAH
Hydrochloric Acid SCHEMBL7179141 0.89 GABRA1 (0.35) LMNAGABRA1GABRG2GABRB3FAAH
Hydrochloric Acid SCHEMBL7176289 0.89 GABRA1 (0.35) LMNAGABRA1GABRG2GABRB3FAAH
Hydrochloric Acid SCHEMBL7177018 0.89 GABRA1 (0.35) LMNAGABRA1GABRG2GABRB3FAAH
Hydrochloric Acid SCHEMBL7182511 0.89 GABRA1 (0.35) LMNAGABRA1GABRG2GABRB3FAAH
Hydrochloric Acid SCHEMBL7184104 0.89 GABRA1 (0.35) LMNAGABRA1GABRG2GABRB3FAAH
Hydrochloric Acid SCHEMBL7181846 0.89 GABRA1 (0.35) LMNAGABRA1GABRG2GABRB3FAAH

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
WO-2003084662-A2 COVALENTLY FIXED LIGAND SYSTEMS, NON-METALLOCENE SYSTEMS AND CATALYST SYSTEMS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF FOR POLYMERIZING OLEFINS CELANESE VENTURES GMBH (DE) 2003-10-16 WO disclosed