SCHEMBL29423934

SCHEMBL29423934

CCOC(=O)C1C2Cc3cc(OCc4c(F)ccc(Br)c4F)ccc3C21

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.35
KAT6A Q92794 3/20 0.35
KDM4E B2RXH2 3/20 0.35
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
POLB P06746 2/20 0.32
GAA P10253 1/20 0.32
PPARD Q03181 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL16846001 1.00 FFAR1 (0.35) FFAR1KAT6AKDM4ETSHRALDH1A1
SCHEMBL18940278 0.88 FFAR1 (0.41) FFAR1KAT6AHPGDFFAR4POLB
SCHEMBL13222719 0.85 FFAR1 (0.36) FFAR1KAT6AKDM4ETSHRALDH1A1
SCHEMBL29423905 0.84 FFAR1 (0.42) FFAR1KAT6APOLB
SCHEMBL29423928 0.84 FFAR1 (0.42) FFAR1KAT6APOLB
SCHEMBL16845971 0.83 FFAR1 (0.34) FFAR1KDM4ETSHRALDH1A1POLB
SCHEMBL29423927 0.83 FFAR1 (0.34) FFAR1KDM4ETSHRALDH1A1POLB
SCHEMBL9903728 0.81 SMN1; SMN2 (0.38) FFAR1KDM4ETSHRALDH1A1HPGD
SCHEMBL18959380 0.80 FFAR1 (0.42) FFAR1
SCHEMBL29423909 0.79 MAOB (0.47) FFAR1ALDH1A1FFAR4SMN1; SMN2

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
EP-3974413-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2022-03-30 EP disclosed