SCHEMBL21456022

SCHEMBL21456022

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AGBL2 Q5U5Z8 1/20 0.46
CXCL8 P10145 2/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
TSHR P16473 1/20 0.43
PTGDR2 Q9Y5Y4 3/20 0.40
CAMK2A Q9UQM7 2/20 0.40
P2RX3 P56373 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTGDR Q13258 1/20 0.39
PKM P14618 1/20 0.39
FFAR4 Q5NUL3 2/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
FFAR1 O14842 1/20 0.38
NR1H4 Q96RI1 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
SCHEMBL21455434 0.84 AGBL2 (0.41) AGBL2CXCL8RXRATSHRCAMK2A
SCHEMBL23261419 0.83 SRC (0.51) RXRARXRBRXRGTSHRCAMK2A
SCHEMBL21455802 0.82 ALDH1A1 (0.42) TSHRPKM
SCHEMBL14125958 0.82 HSD17B10 (0.54) AGBL2CXCL8TSHRCAMK2AHSD17B10
SCHEMBL29530799 0.82 HSD17B10 (0.54) AGBL2CXCL8TSHRCAMK2AHSD17B10
SCHEMBL8418212 0.82 KCNH2 (0.38) TSHRP2RX3IRAK4
SCHEMBL20818300 0.80 KCNH2 (0.37) P2RX3IRAK4
SCHEMBL3941649 0.80 CXCL8 (0.54) CXCL8TSHRCAMK2AFFAR4IRAK4
SCHEMBL28573110 0.78 CSNK2A1 (0.38) P2RX3
SCHEMBL21455770 0.78 PTGDR2 (0.40) RXRARXRBRXRGPTGDR2CAMK2A

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