SCHEMBL28136287

SCHEMBL28136287

CCCCCCCCCCCCOc1ccc(COc2cc(C(=O)O)cc(OCc3ccc(OCCCCCCCCCCCC)cc3)c2OCc2ccc(OCCCCCCCCCCCC)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.62
TSHR P16473 1/20 0.62
PLA2G4B P0C869 10/20 0.60
PLA2G2A P14555 1/20 0.58
RARB P10826 3/20 0.58
PLA2G4A P47712 1/20 0.55

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
SCHEMBL13385975 0.89 TP53 (0.50) TP53TSHRPLA2G4BRARB
SCHEMBL13385885 0.87 TP53 (0.48) TP53TSHRPLA2G4B
SCHEMBL13837233 0.86 PLA2G2A (0.55) TP53TSHRPLA2G4BPLA2G2ARARB
SCHEMBL9664886 0.84 TP53 (0.82) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL8943435 0.84 TP53 (0.82) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL444675 0.83 NR5A1 (0.53) TP53TSHRPLA2G4B
SCHEMBL442369 0.83 NR5A1 (0.53) TP53TSHRPLA2G4B
SCHEMBL13386010 0.83 PLK1 (0.44) TP53TSHRPLA2G4B
SCHEMBL9578566 0.83 TP53 (0.63) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL9356270 0.81 RAB9A (0.66) TP53PLA2G4B

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
CN-113768874-B Compound iodine disinfectant and preparation method thereof 四川省伊洁士医疗科技有限公司 2023-04-11 CN disclosed
CN-106543448-A A kind of ultraviolet light high speed curable dendroid resin and its divergent method preparation method and applications 湖北绿色家园精细化工股份有限公司 2017-03-29 CN disclosed