SCHEMBL8100696

SCHEMBL8100696

CC1(C(=O)OCCCl)CCC(=O)CO1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TTPA P49638 1/20 0.33
ALOX5 P09917 1/20 0.33
PSEN1 P49768 3/20 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
SCHEMBL18244757 0.83 ATM (0.42) TTPAALOX5PSEN1
SCHEMBL18789245 0.78 SMN1; SMN2 (0.33)
SCHEMBL15106146 0.72 PTGS1 (0.39) PSEN1
SCHEMBL8108521 0.70 PSEN1 (0.30) PSEN1
SCHEMBL21803156 0.67 ATM (0.44)
Bromide SCHEMBL21834016 0.65 ATM (0.42)
SCHEMBL5789967 0.64 BCHE (0.37)
SCHEMBL21834015 0.63 ATM (0.40)
SCHEMBL18252889 0.62 ATM (0.39)
SCHEMBL20625157 0.62 KCNA3 (0.30)

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