SCHEMBL3967802

SCHEMBL3967802

[Li]C1=C(C)C=C2C1=CC=CCC2c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.33
GOPC Q9HD26 1/20 0.33
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CYP19A1 P11511 2/20 0.31

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
SCHEMBL5595914 0.83 CFTR (0.33) CFTRGOPCCYP19A1
SCHEMBL4468810 0.83 CFTR (0.33) CFTRGOPCCYP19A1
Lithium SCHEMBL5574358 0.82 CFTR (0.32) CFTRGOPCCYP19A1
Hydrochloric Acid SCHEMBL5599215 0.82 CFTR (0.32) CFTRGOPCCYP19A1
SCHEMBL6900071 0.71
SCHEMBL21416522 0.71 CFTR (0.34) CFTRGOPCSLC6A2SLC6A3CYP19A1
Lithium SCHEMBL3971083 0.71
SCHEMBL5545795 0.70 CFTR (0.44) CFTRGOPC
Hydrochloric Acid SCHEMBL4328557 0.69 GPBAR1 (0.31)
SCHEMBL13645456 0.64 CYP19A1 (0.32) CFTRGOPCSLC6A2SLC6A3CYP19A1

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-1471085-B1 NON-RIGID PROPYLENE RESIN COMPOSITION MITSUBISHI CHEM CORP (JP) 2009-07-29 EP disclosed
EP-1860130-A1 Soft propylene-based resin composition Mitsubishi Chemical Corporation (JP) 2007-11-28 EP disclosed
EP-1860129-A1 Soft propylene-based resin composition Mitsubishi Chemical Corporation (JP) 2007-11-28 EP disclosed
US-20060270794-A1 Soft propylene-based resin composition MITSUBISHI CHEMICAL CORPORATION (JP) 2006-11-30 US disclosed
US-7105604-B2 Soft propylene-based resin composition MITSUBISHI CHEMICAL CORPORATION (JP) 2006-09-12 US disclosed
US-20050131160-A1 Gas phase propylene homopolymerization to give an isotactic block with head-to-tail bonding followed by copolymerization of ethylene and propylene; improved flexibility, transparency, and heat resistance MITSUBISHI CHEMICAL CORPORATION (JP) 2005-06-16 US disclosed
EP-1471085-A1 NON-RIGID PROPYLENE RESIN COMPOSITION Mitsubishi Chemical Corporation (JP) 2004-10-27 EP disclosed