SCHEMBL29784277

SCHEMBL29784277

CC(C)(C)OC(=O)NCc1cc2cc(Cl)cc(C(=O)O)c2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 5/20 0.50
KDM4A O75164 1/20 0.38
HPGD P15428 3/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GPR35 Q9HC97 1/20 0.38
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
PTGER1 P34995 2/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 3/20 0.35
KCNA5 P22460 1/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL27185530 1.00 STING1 (0.50) STING1KDM4AHPGDUSP2POLB
SCHEMBL27185593 0.90 STING1 (0.43) STING1KDM4AACACBACACAGAA
SCHEMBL29784337 0.90 STING1 (0.43) STING1KDM4AACACBACACAGAA
SCHEMBL29784270 0.87 MAPT (0.40) STING1KDM4AHPGDALOX15CASP1
SCHEMBL27185727 0.87 MAPT (0.40) STING1KDM4AHPGDALOX15CASP1
SCHEMBL29784379 0.84 STING1 (0.46) STING1KDM4AACACBACACAGAA
SCHEMBL27185404 0.84 STING1 (0.46) STING1KDM4AACACBACACAGAA
SCHEMBL29784414 0.82 NSD2 (0.37) STING1KDM4AGPR35GAA
SCHEMBL19079895 0.79 HPGD (0.43) KDM4AHPGDPOLBCASP1CASP7
SCHEMBL27185764 0.78 MAPT (0.39) KDM4AHPGDALOX15CASP1CASP7

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-2022169921-A1 BENZOFURAN COMPOUNDS AS STING AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2022-08-11 WO disclosed