SCHEMBL6474918

SCHEMBL6474918

C=CC(=O)NCC12CCC(C1)C1CCCC12CNC(=O)C=C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
Acrylic Acid SCHEMBL6836710 0.73
Acrylic Acid SCHEMBL6832817 0.72
SCHEMBL6836707 0.69 TSHR (0.31) TSHR
SCHEMBL6832814 0.68 TSHR (0.39) ALDH1A1TSHR
Maleic Acid SCHEMBL11207600 0.66
SCHEMBL6234511 0.63 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1TDP1
SCHEMBL3371366 0.59 ALDH1A1 (0.61) ALDH1A1TSHR
SCHEMBL1006121 0.57 CYP1A2 (0.32)
Acrylic Acid SCHEMBL6838756 0.57 LMNA (0.31)
SCHEMBL26708565 0.57 TSHR (0.42) ALDH1A1TSHRMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1601679-A2 A POYMERIZABLE PHOSPHORIC ACID ESTER DERIVATIVE AND A DENTAL COMPOSITION EMPLOYING IT. DENTSPLY DETREY GmbH (DE) 2005-12-07 EP disclosed
WO-2004078100-A2 A POYMERIZABLE PHOSPHORIC ACID ESTER DERIVATIVE AND A DENTAL COMPOSITION EMPLOYING IT. DENTSPLY DE TREY GMBH (DE) 2004-09-16 WO disclosed