SCHEMBL27489362

SCHEMBL27489362

CC1=Cc2c(C(C)C)cccc2C1[Ti]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
LMNA P02545 2/20 0.36
GABRB2 P47870 2/20 0.36
FAAH O00519 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
GABRB1 P18505 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2C P28335 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
HTR2B P41595 1/20 0.36
GABRA2 P47869 1/20 0.36

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 SCHEMBL4082714 0.81 GABRA1 (0.35) GABRA1GABRG2GABRB3LMNAGABRB2
Hydrochloric Acid SCHEMBL4083622 0.77 GABRA1 (0.35) GABRA1GABRG2GABRB3LMNAGABRB2
Hydrochloric Acid SCHEMBL4066285 0.77 GABRA1 (0.35) GABRA1GABRG2GABRB3LMNAGABRB2
Hydrochloric Acid SCHEMBL7927298 0.77 GABRA1 (0.35) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL30108362 0.77 GABRA1 (0.35) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL7053648 0.76 LMNA (0.34) GABRA1GABRG2GABRB3LMNAGABRB2
Hydrochloric Acid SCHEMBL2529411 0.76 GABRA1 (0.34) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL7805739 0.76 GABRA1 (0.34) GABRA1GABRG2GABRB3LMNAGABRB2
Hydrochloric Acid SCHEMBL29612270 0.76 GABRA1 (0.34) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL7037674 0.76 LMNA (0.34) GABRA1GABRG2GABRB3LMNAGABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104011083-B Use the polymerization of the particle containing surfactant 住友化学株式会社 2016-12-21 CN disclosed
CN-1196716-C Modified particle, support, catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL CO (JP) 2005-04-13 CN disclosed
CN-1422286-A Modified particle, support, catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL CO (JP) 2003-06-04 CN disclosed