SCHEMBL28531863

SCHEMBL28531863

CCCCCCCCCCOc1cc(N)c(C(=O)O)c(O)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 2/20 0.57
▸ TP53 P04637 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ PLA2G4B P0C869 3/20 0.49
▸ BLM P54132 1/20 0.48
▸ NR5A1 Q13285 1/20 0.47
▸ RARB P10826 3/20 0.47
▸ PTGES O14684 1/20 0.45
▸ TOP2A P11388 1/20 0.45
▸ CNR1 P21554 1/20 0.45
▸ CNR2 P34972 1/20 0.45
▸ PLA2G4A P47712 1/20 0.45

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
SCHEMBL28531920 1.00 PLA2G2A (0.57) PLA2G2ATP53TSHRPLA2G4BBLM
SCHEMBL28518816 1.00 PLA2G2A (0.57) PLA2G2ATP53TSHRPLA2G4BBLM
SCHEMBL8062575 0.84 PTPN1 (0.60) PLA2G2ATP53TSHRPLA2G4B
SCHEMBL8064852 0.79 PLA2G2A (0.52) PLA2G2ARARB
SCHEMBL8648767 0.77 PLA2G2A (0.66) PLA2G2ATP53TSHRPLA2G4BBLM
SCHEMBL5163715 0.76 PTGES (0.55) PLA2G2ATP53TSHRPLA2G4BPTGES
SCHEMBL1583340 0.76 PLA2G2A (0.64) PLA2G2ATP53TSHRPLA2G4BBLM
SCHEMBL20556375 0.76 THRB (0.64) PLA2G2ATP53TSHRPLA2G4BBLM
SCHEMBL8640999 0.76 PLA2G2A (0.64) PLA2G2ATP53TSHRPLA2G4BBLM
SCHEMBL26075796 0.76 NR5A1 (0.49) PLA2G2ATSHRBLMNR5A1CNR1

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-109465112-B Chelate amphoteric collector, preparation method thereof and composition consisting of chelate amphoteric collector and fatty acid 鞍山市天翔工业科技有限公司 2021-02-19 — — CN disclosed
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