SCHEMBL9701375

SCHEMBL9701375

CCCCOc1cc(OCCCC)c(C(=O)O)c(OCCCC)c1OCCCC

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.45
THRB P10828 3/20 0.45
PLA2G2A P14555 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
PLA2G4B P0C869 2/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
CNR2 P34972 1/20 0.40
S1PR3 Q99500 1/20 0.40
PTPN11 Q06124 1/20 0.40

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
SCHEMBL13215464 0.81 PLA2G2A (0.57) PLA2G2ATP53TSHRPLA2G4B
SCHEMBL7995915 0.79 PLA2G2A (0.56) THRATHRBPLA2G2ATP53TSHR
SCHEMBL11928959 0.79 TP53 (0.47) THRATHRBPLA2G2ATP53TSHR
SCHEMBL27673560 0.78 CNR1 (0.48) PLA2G2AALDH1A1HPGDCNR2
SCHEMBL10537637 0.77 PLA2G2A (0.56) THRATHRBPLA2G2ATP53TSHR
SCHEMBL11929251 0.76 THRA (0.49) THRATHRBTP53TSHRCNR2
SCHEMBL5586622 0.76 PPARA (0.41) THRATHRBTSHR
SCHEMBL5588210 0.76 THRA (0.44) THRATHRBPLA2G2ATP53TSHR
SCHEMBL14760826 0.75 PTPN1 (0.53) THRBPTPN11
SCHEMBL13154632 0.75 THRA (0.46) THRATHRBPLA2G2ATP53TSHR

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
EP-0507576-A1 Polypropylene-based resin compositions TOSOH CORPORATION (JP) 1992-10-07 EP disclosed