SCHEMBL13098673

SCHEMBL13098673

C[C@@H]1CC(C)(C)CC(C)(CNC(=O)N(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
ALDH1A1 P00352 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA4 P43681 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
SCHEMBL811115 0.82 TSHR (0.48) TSHROPRM1OPRL1ALDH1A1ESR1
SCHEMBL18786168 0.82 TSHR (0.48) TSHROPRM1OPRL1ALDH1A1ESR1
SCHEMBL3837629 0.82 TSHR (0.59) TSHROPRM1OPRL1
SCHEMBL14964832 0.82 TSHR (0.59) TSHROPRM1OPRL1
SCHEMBL30130345 0.80 TSHR (0.41) TSHR
SCHEMBL17171621 0.79 HSD17B10 (0.46) TSHROPRM1OPRL1ALDH1A1ESR1
SCHEMBL13647776 0.79 TSHR (0.68) TSHROPRM1OPRL1ALDH1A1ESR1
SCHEMBL17172386 0.78 TSHR (0.44) TSHROPRM1OPRL1ALDH1A1ESR1
SCHEMBL12390923 0.77 ALDH1A1 (0.55) TSHRALDH1A1
SCHEMBL24675347 0.77 OPRM1 (0.45) TSHROPRM1OPRL1CHRNB2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100273008-A1 POLYURETHANE POLYMER FOR REVERSIBLE ADHESIVE BONDS SIKA TECHNOLOGY AG (CH) 2010-10-28 US disclosed
US-20100273008-A1 POLYURETHANE POLYMER FOR REVERSIBLE ADHESIVE BONDS SIKA TECHNOLOGY AG (CH) 2010-10-28 US disclosed
WO-2009065913-A1 POLYURETHANE POLYMER FOR REVERSIBLE ADHESIVE BONDS SIKA TECHNOLOGY AG (CH) 2009-05-28 WO disclosed
EP-2062926-A1 Polyurethane polymer for reversible adhesive joints Sika Technology AG (CH) 2009-05-27 EP disclosed