SCHEMBL4454591

SCHEMBL4454591

CC12CCC(C1)C(CCC1CCCCC1)C2(C)CCC1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.35
CYP1A2 P05177 1/20 0.35
GAA P10253 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
SCHEMBL4453346 0.85 SIGMAR1 (0.38) SIGMAR1CYP1A2
SCHEMBL4816692 0.67 SIGMAR1 (0.31) SIGMAR1
SCHEMBL5450869 0.64 CYP1A2 (0.48) SIGMAR1CYP1A2
SCHEMBL15355135 0.64 CYP1A2 (0.48) SIGMAR1CYP1A2
SCHEMBL6153538 0.64 CYP1A2 (0.48) SIGMAR1CYP1A2
SCHEMBL3835776 0.63 CYP1A2 (0.46) SIGMAR1CYP1A2
SCHEMBL6583190 0.62 SIGMAR1 (0.30) SIGMAR1
SCHEMBL60655 0.61 CYP1A2 (0.58) SIGMAR1CYP1A2
SCHEMBL2573209 0.61 CYP1A2 (0.58) SIGMAR1CYP1A2
SCHEMBL5617552 0.61 CYP1A2 (0.58) SIGMAR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670852-B1 THERMOSETTING MATERIAL BASED ON ANTIPLASTICIZED POLYTHIOURETHANE, AND OPHTHALMIC LENS COMPRISING AN ANTIPLASTICIZED THERMOSETTING MATERIAL ESSILOR INT (FR) 2008-12-10 EP claimed
US-20060270771-A1 Thermoset material based on antiplasticizing polythiourethane and ophthalmic lens comprising an antiplasticized thermoset material ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2006-11-30 US claimed
US-7622526-B2 Thermoset material based on antiplasticizing polythiourethane and ophthalmic lens comprising an antiplasticized thermoset material ESSILOR INTERNATIONAL (FR) 2009-11-24 US disclosed
EP-1670852-B1 THERMOSETTING MATERIAL BASED ON ANTIPLASTICIZED POLYTHIOURETHANE, AND OPHTHALMIC LENS COMPRISING AN ANTIPLASTICIZED THERMOSETTING MATERIAL ESSILOR INT (FR) 2008-12-10 EP disclosed
US-20060270771-A1 Thermoset material based on antiplasticizing polythiourethane and ophthalmic lens comprising an antiplasticized thermoset material ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2006-11-30 US disclosed