SCHEMBL23616979

SCHEMBL23616979

C=C/C(C)=C(/F)N(C)C(=O)OCC

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
HSD17B10 Q99714 1/20 0.34
GLO1 Q04760 1/20 0.32
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C9 P11712 1/20 0.30

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
SCHEMBL3738416 0.76 MEN1 (0.41) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL20870669 0.72 ALDH1A1 (0.50) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL7025994 0.71 ALDH1A1 (0.48) MEN1KMT2AALDH1A1LMNAHSD17B10
Acrylic Acid SCHEMBL28456925 0.68 CHRNB2 (0.42) ALDH1A1LMNAHSD17B10HPGDTSHR
SCHEMBL9719706 0.67
SCHEMBL17384735 0.67 MEN1 (0.47) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL27580489 0.67 TSHR (0.42) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL20868585 0.66 KMT2A (0.42) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL5410926 0.66 SOAT1 (0.41) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL8927958 0.65 ALDH1A1 (0.42) MEN1KMT2AALDH1A1LMNAHSD17B10

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-3687506-B1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS BIOCRYST PHARM INC (US) 2021-07-07 EP disclosed