SCHEMBL21455434

SCHEMBL21455434

C=CC(C)Oc1cc(F)ccc1CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGBL2 Q5U5Z8 1/20 0.41
CXCL8 P10145 2/20 0.40
TSHR P16473 1/20 0.39
CAMK2A Q9UQM7 2/20 0.36
RXRA P19793 4/20 0.36
HSD17B10 Q99714 1/20 0.35
SRC P12931 1/20 0.35
PKM P14618 1/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
PPARG P37231 1/20 0.34
CFD P00746 1/20 0.34
F11 P03951 1/20 0.34
TPSB2 P20231 1/20 0.34
KDM5A P29375 1/20 0.34

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
SCHEMBL21455436 0.85 MEN1 (0.37) TSHRPKMMEN1MAPTHPGD
SCHEMBL21456022 0.84 AGBL2 (0.46) AGBL2CXCL8TSHRCAMK2ARXRA
SCHEMBL21455754 0.83 HSD17B10 (0.54) CAMK2AHSD17B10MEN1MAPTKMT2A
SCHEMBL14125958 0.76 HSD17B10 (0.54) AGBL2CXCL8TSHRCAMK2AHSD17B10
SCHEMBL29530799 0.76 HSD17B10 (0.54) AGBL2CXCL8TSHRCAMK2AHSD17B10
SCHEMBL24200174 0.74 MEN1 (0.37) TSHRPKMMEN1MAPTHPGD
SCHEMBL23229181 0.72 AGBL2 (0.41) AGBL2CXCL8TSHRRXRAPKM
SCHEMBL29116956 0.71 SLC6A4 (0.38) TSHRMEN1MAPTHPGDKMT2A
SCHEMBL22867120 0.70 AGBL2 (0.52) AGBL2CXCL8TSHRRXRASRC
SCHEMBL18642464 0.70 CXCL8 (0.45) CXCL8TSHRCAMK2APKMFFAR1

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
WO-2019195720-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2019-10-10 WO disclosed