SCHEMBL7102338

SCHEMBL7102338

CC1=C(C)C([Fe]C2(c3ccccc3)C(C)=C(C)C(C)=C2C)(c2ccccc2)C(C)=C1C

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
ACHE P22303 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
MAOB P27338 6/20 0.32
MAOA P21397 3/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
PAX8 Q06710 1/20 0.31
MCL1 Q07820 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30

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 SCHEMBL6817422 0.67 LMNA (0.33) LMNATSHRALOX12ACHEOPRM1
SCHEMBL10876622 0.57 OPRM1 (0.41) LMNAOPRM1OPRK1OPRL1MAOB
SCHEMBL5480380 0.57 OPRM1 (0.41) OPRM1OPRK1OPRL1MAOBMAOA
Toluene SCHEMBL5180567 0.57
SCHEMBL21084790 0.56 ELANE (0.48) TSHROPRM1OPRK1OPRL1MAOB
SCHEMBL15660843 0.55 CYP2C9 (0.42) LMNATSHRALDH1A1GAAMMP2
Toluene SCHEMBL14954115 0.55 ACHE (0.85) LMNATSHRALOX12ACHEALDH1A1
Toluene SCHEMBL14953929 0.55 ACHE (0.85) LMNATSHRALOX12ACHEALDH1A1
Toluene SCHEMBL14954202 0.55 ACHE (0.85) LMNATSHRALOX12ACHEALDH1A1
Toluene SCHEMBL14953876 0.55 ACHE (0.85) LMNATSHRALOX12ACHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1006119-B1 NOVEL CRYSTALLINE ION-ASSOCIATION SUBSTANCE, PROCESS FOR PRODUCING THE SAME, AND LATENT PHOTOPOLYMERIZATION INITIATOR AUTEX INC (JP) 2003-09-03 EP claimed
US-6387975-B1 ORGANOMETALLIC COMPOUND COMPLEX AUTEX, INC. (JP) 2002-05-14 US claimed
EP-1006119-A1 NOVEL CRYSTALLINE ION-ASSOCIATION SUBSTANCE, PROCESS FOR PRODUCING THE SAME, AND LATENT PHOTOPOLYMERIZATION INITIATOR AUTEX, INC. (JP) 2000-06-07 EP claimed
EP-1006119-B1 NOVEL CRYSTALLINE ION-ASSOCIATION SUBSTANCE, PROCESS FOR PRODUCING THE SAME, AND LATENT PHOTOPOLYMERIZATION INITIATOR AUTEX INC (JP) 2003-09-03 EP disclosed
US-6387975-B1 ORGANOMETALLIC COMPOUND COMPLEX AUTEX, INC. (JP) 2002-05-14 US disclosed
EP-1006119-A1 NOVEL CRYSTALLINE ION-ASSOCIATION SUBSTANCE, PROCESS FOR PRODUCING THE SAME, AND LATENT PHOTOPOLYMERIZATION INITIATOR AUTEX, INC. (JP) 2000-06-07 EP disclosed