SCHEMBL8108583

SCHEMBL8108583

COC1=COC(C)(C(=O)OCCO)CC1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 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
SCHEMBL7563288 0.82 SMN1; SMN2 (0.34)
SCHEMBL9490606 0.68 SMN1; SMN2 (0.36)
SCHEMBL27699115 0.66 FFAR3 (0.40)
SCHEMBL14360028 0.63 PTGS1 (0.64) PSEN1
SCHEMBL16561549 0.60 TSHR (0.31)
SCHEMBL7921660 0.58 PSEN1 (0.39) PSEN1
SCHEMBL4778767 0.58 TSHR (0.34)
SCHEMBL24802589 0.57 BRD4 (0.37)
SCHEMBL18415750 0.57 TSHR (0.33)
SCHEMBL7921717 0.56 OPRM1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6136986-A REACTING SUBSTITUTED ACROLEIN COMPOUND WITH ACRYLATES, ACROLEINS, ACROLEIN ACETALS, ALLYL ALCOHOLS OR ALLYL ETHERS TO GIVE 3,4-DIHYDRO-2H-PYRANS, REACTING WITH ACID, FOLLOWED BY REACTING WITH SUBSTITUETED VINYL KETONE, DEHYDROGENATION BASF AKTIENGESELLSCHAFT (DE) 2000-10-24 US disclosed