SCHEMBL30903552

SCHEMBL30903552

CCCCCCCCOc1ccc(C(=O)c2ccccc2)c(OCCCCCCCC)c1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 4/20 0.57
PLA2G4B P0C869 2/20 0.56
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
MAPT P10636 1/20 0.55
MAPK1 P28482 1/20 0.55
SMPD1 P17405 3/20 0.53
POLB P06746 1/20 0.52
THRA P10827 1/20 0.52
THRB P10828 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
SCHEMBL1964738 1.00 PTPN11 (0.57) PTPN11PLA2G4BTP53TSHRMAPT
SCHEMBL30903553 1.00 PTPN11 (0.57) PTPN11PLA2G4BTP53TSHRMAPT
SCHEMBL10583409 0.94 PTPN11 (0.54) PTPN11PLA2G4BTP53TSHRMAPT
SCHEMBL29688035 0.94 THRA (0.61) PTPN11PLA2G4BTP53TSHRMAPT
SCHEMBL9787040 0.91 PLA2G4B (0.54) PTPN11PLA2G4BTP53TSHRMAPT
SCHEMBL30785064 0.91 PTPN11 (0.52) PTPN11PLA2G4BTP53TSHRMAPT
SCHEMBL9360872 0.89 THRA (0.59) PTPN11PLA2G4BTP53TSHRTHRA
SCHEMBL23067536 0.88 PTPN11 (0.51) PTPN11TP53TSHRMAPTMAPK1
SCHEMBL2805631 0.88 HPGD (0.64) PTPN11PLA2G4BTP53TSHRMAPK1
Octabenzone SCHEMBL10805004 0.88 HPGD (0.64) PTPN11PLA2G4BTP53TSHRMAPK1

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-112125793-B 2, 4-Di-n-octoxybenzophenone and synthetic method and application thereof 宜都市华阳化工有限责任公司 2024-05-10 CN disclosed
CN-112125793-B 2, 4-Di-n-octoxybenzophenone and synthetic method and application thereof 宜都市华阳化工有限责任公司 2024-05-10 CN disclosed