SCHEMBL4248262

SCHEMBL4248262

CCCCCCOc1c(CC)cccc1COc1nc(OCc2cccc(CC)c2OCCCCCC)nc(-c2ccccc2)n1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.40
PTPN11 Q06124 2/20 0.37
PTPN1 P18031 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
ALDH1A1 P00352 1/20 0.35
RARB P10826 3/20 0.35
DHFR P00374 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL27615672 0.79 SOAT1 (0.55) SOAT1PTPN1THRATHRBRARB
SCHEMBL27875103 0.77 SOAT1 (0.50) SOAT1PTPN1THRATHRBALDH1A1
SCHEMBL6399457 0.73 SOAT1 (0.37) SOAT1PTPN11PTPN1THRATHRB
SCHEMBL28293909 0.70 TSHR (0.41) ALDH1A1TP53TSHR
SCHEMBL17294439 0.70 THRA (0.35) THRATHRB
SCHEMBL8520508 0.70 SOAT1 (0.48) SOAT1PTPN1THRATHRBRARB
SCHEMBL9993602 0.70 SOAT1 (0.48) SOAT1PTPN1THRATHRBRARB
SCHEMBL697379 0.70 PDE5A (0.39) SOAT1PTPN11PTPN1THRATHRB
SCHEMBL28295750 0.69 LTA4H (0.39) PTPN11THRATHRBALDH1A1TP53
SCHEMBL1132424 0.69 LTA4H (0.60) ALDH1A1RARBTP53TSHR

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
EP-2015727-A2 WATER RESISTANT SUNSCREEN FORMULAS WITH SULFOPOLYESTERS AND PHOSPHATE ESTER SURFACTANTS Eastman Chemical Company (US) 2009-01-21 EP disclosed
WO-2007133662-A2 WATER RESISTANT SUNSCREEN FORMULAS WITH SULFOPOLYESTERS AND PHOSPHATE ESTER SURFACTANTS EASTMAN CHEMICAL COMPANY (US) 2007-11-22 WO disclosed