SCHEMBL29901437

SCHEMBL29901437

O=C(O)CCC(=O)c1cc2ccc(/C=C\c3ccc4cc(C(=O)CCC(=O)O)sc4c3)cc2s1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 17/20 0.55
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
BCL2L1 Q07817 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37

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
SCHEMBL23461392 1.00 STING1 (0.55) STING1ALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL23480416 0.84 MAPK14 (0.38) STING1BCL2L1HDAC3HDAC4HDAC1
SCHEMBL21405856 0.82 STING1 (0.57) STING1
SCHEMBL23480414 0.81 BCL2L1 (0.58) ALDH1A1BCL2L1HDAC3HDAC4HDAC1
SCHEMBL31463286 0.81 STING1 (0.56) STING1HDAC3HDAC4HDAC1HDAC7
SCHEMBL11232455 0.78 BCL2L1 (0.64) STING1CYP1A2BCL2L1HDAC3HDAC4
SCHEMBL23462094 0.77 STING1 (0.52) STING1CYP1A2BCL2L1HDAC1
SCHEMBL31463236 0.77 STING1 (0.67) STING1ALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL23461338 0.77 STING1 (0.52) STING1HDAC1
SCHEMBL29901448 0.77 STING1 (0.52) STING1HDAC1

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-4069683-A1 DIMERIC COMPOUNDS AS STING AGONISTS Mersana Therapeutics, Inc. (US) 2022-10-12 EP disclosed