SCHEMBL6560547

SCHEMBL6560547

C=C(C)C(=O)NC12CC3CC(C1)CC(NC(=O)C(=C)C)(C3)C2

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
EPHX2 P34913 5/20 0.44
EPHX1 P07099 2/20 0.44
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL12783362 0.90 TSHR (0.43) TSHREPHX2EPHX1GAA
SCHEMBL6560165 0.89 EPHX2 (0.39) TSHREPHX2EPHX1GAA
SCHEMBL584409 0.89 EPHX2 (0.57) EPHX2EPHX1GAALMNAHTT
SCHEMBL17829503 0.86 TSHR (0.40) TSHREPHX2EPHX1GAAKMT2A
SCHEMBL6559951 0.82 ALDH1A1 (0.35)
SCHEMBL6058547 0.80 EPHX1 (0.53) TSHREPHX2EPHX1GAALMNA
SCHEMBL4086300 0.78 EPHX1 (0.36) EPHX2EPHX1GAAKMT2ASMN1; SMN2
SCHEMBL12783371 0.77 EPHX1 (0.37) TSHREPHX2EPHX1GAA
SCHEMBL12783448 0.75 ALDH1A1 (0.44) TSHREPHX2
SCHEMBL6228020 0.74 GRIN2D (0.48) TSHREPHX2EPHX1GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915077-B1 POLYMERIZABLE ADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME DAICEL CHEM (JP) 2004-11-17 EP disclosed
US-6235851-B1 ESTERIFICATION OR AMIDATION REACTION OF AN ADAMANTANE DERIVATIVE; GROUP 3A METAL CATALYST DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
EP-0915077-A1 POLYMERIZABLE ADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME Daicel Chemical Industries, Ltd. (JP) 1999-05-12 EP disclosed