SCHEMBL7102339

SCHEMBL7102339

CC1=C(C)C(C)([Fe]C2(C)C(C)=C(C)C(C)=C2c2ccccc2)C(c2ccccc2)=C1C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
ALDH1A1 P00352 1/20 0.31
HPGD P15428 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 SCHEMBL6817420 0.72 CRHBP (0.33) CRHBPCRHR2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL7562141 0.72 CRHBP (0.33) CRHBPCRHR2PTGS1PTGS2ALDH1A1
SCHEMBL14564580 0.63 PTGS1 (0.34) CRHBPCRHR2PTGS1PTGS2ALDH1A1
SCHEMBL11787137 0.61 MMP2 (0.48) CRHBPCRHR2PTGS1PTGS2ALDH1A1
Biphenyl SCHEMBL9716893 0.61 ALDH1A1 (0.38) ALDH1A1
SCHEMBL7102338 0.61 LMNA (0.33) CRHBPCRHR2ALDH1A1
SCHEMBL31357307 0.60 LMNA (0.32)
Biphenyl SCHEMBL10610825 0.56 ALDH1A1 (0.69) ALDH1A1
SCHEMBL21044879 0.55 LMNA (0.32)
SCHEMBL21084790 0.55 ELANE (0.48) ALDH1A1

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