SCHEMBL28765484

SCHEMBL28765484

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOc1cc(C(=O)O)cc(OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)c1OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.66
ALDH1A1 P00352 1/20 0.57
HPGD P15428 1/20 0.57
TP53 P04637 1/20 0.57
TSHR P16473 1/20 0.57
PTPN11 Q06124 2/20 0.56
PLA2G4B P0C869 1/20 0.55
RARB P10826 3/20 0.53
PLA2G2D Q9UNK4 1/20 0.52

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
SCHEMBL1200906 1.00 PLA2G2A (0.66) PLA2G2AALDH1A1HPGDTP53TSHR
SCHEMBL14085628 1.00 PLA2G2A (0.66) PLA2G2AALDH1A1HPGDTP53TSHR
SCHEMBL318045 1.00 PLA2G2A (0.66) PLA2G2AALDH1A1HPGDTP53TSHR
SCHEMBL1108057 1.00 PLA2G2A (0.66) PLA2G2AALDH1A1HPGDTP53TSHR
SCHEMBL1108059 1.00 PLA2G2A (0.66) PLA2G2AALDH1A1HPGDTP53TSHR
SCHEMBL1200763 1.00 PLA2G2A (0.66) PLA2G2AALDH1A1HPGDTP53TSHR
SCHEMBL1201538 1.00 PLA2G2A (0.66) PLA2G2AALDH1A1HPGDTP53TSHR
SCHEMBL1201453 1.00 PLA2G2A (0.66) PLA2G2AALDH1A1HPGDTP53TSHR
SCHEMBL1200970 1.00 PLA2G2A (0.66) PLA2G2AALDH1A1HPGDTP53TSHR
SCHEMBL1201643 1.00 PLA2G2A (0.66) PLA2G2AALDH1A1HPGDTP53TSHR

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
CN-109879870-B Synthesis and application of novel functional material based on benzothiadiazole 常州大学 2022-06-28 CN disclosed