SCHEMBL28487405

SCHEMBL28487405

CCCCCCOc1cc(C=O)ccc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.58
CYP2C9 P11712 1/20 0.58
RAB9A P51151 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
PTPN11 Q06124 6/20 0.52
S1PR3 Q99500 1/20 0.52
PTPN1 P18031 1/20 0.49
PTPN6 P29350 1/20 0.49
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
PLA2G4B P0C869 1/20 0.48
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
FDPS P14324 1/20 0.47

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
SCHEMBL28489648 0.90 NPSR1 (0.59) NPC1CYP2C9RAB9ANPSR1ALDH1A1
SCHEMBL22181800 0.83 CYP2C9 (0.55) NPC1CYP2C9RAB9ANPSR1ALDH1A1
SCHEMBL7820620 0.82 PTPN11 (0.64) PTPN11S1PR3TP53TSHRPLA2G4B
SCHEMBL27494596 0.82 PTPN11 (0.68) PTPN11TP53TSHRPLA2G4BALDH1A1
SCHEMBL5492191 0.82 PTPN11 (0.64) PTPN11S1PR3TP53TSHRPLA2G4B
SCHEMBL9067305 0.82 PTPN11 (0.68) PTPN11TP53TSHRPLA2G4BALDH1A1
SCHEMBL8373569 0.82 FDPS (0.63) NPC1CYP2C9RAB9ANPSR1TSHR
SCHEMBL10497979 0.82 FDPS (0.63) NPC1CYP2C9RAB9ANPSR1TSHR
SCHEMBL10497561 0.82 FDPS (0.63) NPC1CYP2C9RAB9ANPSR1TSHR
SCHEMBL5053914 0.82 FDPS (0.63) NPC1CYP2C9RAB9ANPSR1TSHR

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-111777641-B Phosphorus-containing compound, epoxy resin composition, molding compound product, preparation method and application 中国科学院宁波材料技术与工程研究所 2020-12-11 CN disclosed
CN-111777641-A Phosphorus-containing compound, epoxy resin composition, molding compound product, preparation method and application 中国科学院宁波材料技术与工程研究所 2020-10-16 CN disclosed