SCHEMBL7030684

SCHEMBL7030684

CC1=C(C)c2c(cccc2C(C)C)[C]1[SiH2][C]1C(C)=C(C)c2c1cccc2C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRB2 P47870 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
FAAH O00519 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
GABRB1 P18505 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
HTR2B P41595 1/20 0.38
GABRA2 P47869 1/20 0.38

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
SCHEMBL6235606 0.87 CDC25A (0.35) CA1CA2TSHRCA12CA9
SCHEMBL6063984 0.72 PDCD1 (0.39) HPGDDPP4
SCHEMBL7030691 0.70 GABRA1 (0.38) GABRA1GABRB2DPP4ANPEP
SCHEMBL7105080 0.70 CA2 (0.38) GABRA1GABRB2CA2TSHR
SCHEMBL2048068 0.70 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRB2CA1
SCHEMBL6234914 0.68 HDAC4 (0.44) CYP1A2CYP3A4HPGDTSHRSLC6A2
SCHEMBL167078 0.67 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRB2CA1
SCHEMBL29414063 0.67 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRB2CA1
SCHEMBL9188741 0.67 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRB2CA1
SCHEMBL31723279 0.67 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRB2CA1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1053263-B1 CATALYST SYSTEM BASELL POLYOLEFINE GMBH (DE) 2003-10-01 EP claimed
US-6143686-A FOR ADDITION POLYMERIZATION OF ALPHA OLEFINS, SUCH AS PROPYLENE TO PRODUCE STEREOSPECIFIC POLMER EXXON CHEMICAL PATENTS, INC. (US) 2000-11-07 US claimed
EP-0889059-B1 Catalyst based on monoazadiene metal complexes BAYER AG (DE) 2003-02-12 EP disclosed
US-20020052446-A1 Composition based on monofluorometal complexes BAYER AKTIENGESELLSCHAFT (DE) 2002-05-02 US disclosed
US-6143686-A FOR ADDITION POLYMERIZATION OF ALPHA OLEFINS, SUCH AS PROPYLENE TO PRODUCE STEREOSPECIFIC POLMER EXXON CHEMICAL PATENTS, INC. (US) 2000-11-07 US disclosed
US-5965678-A Catalyst system based on monoazadiene metal complexes BAYER AG (DE) 1999-10-12 US disclosed
EP-0889059-A1 Catalyst based on monoazadiene metal complexes BAYER AG (DE) 1999-01-07 EP disclosed