SCHEMBL29952929

SCHEMBL29952929

Nc1cc(C(=O)C(F)(F)F)ccc1B(O)O

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.44
CES1 P23141 1/20 0.41
MLYCD O95822 10/20 0.40
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL29239643 0.84 MAPT (0.39) MAPTTDP1
SCHEMBL3786793 0.81 ACHE (0.45) ACHECES1MLYCD
SCHEMBL3785393 0.79 ACHE (0.46) ACHECES1MLYCD
SCHEMBL3757645 0.78 KDM4E (0.50) MAPTTDP1
SCHEMBL29953103 0.78 KDM4E (0.50) MAPTTDP1
Hydrochloric Acid SCHEMBL29958669 0.77 KDM4E (0.49) MAPTTDP1
SCHEMBL19306517 0.75 ACHE (0.46) ACHECES1MLYCDMAPTTDP1
SCHEMBL14404394 0.75 PRKCI (0.65) ACHECES1MLYCDMAPT
SCHEMBL629923 0.74 KDM4E (0.64) MAPTTDP1
SCHEMBL29957691 0.74 KDM4E (0.64) MAPTTDP1

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed