SCHEMBL21183311

SCHEMBL21183311

C=CC(=O)OCC(COC(=O)C(=C)C)OC(=O)c1ccc(N(c2ccc(C(=O)OC(COC(C)=O)COC(=O)C(=C)C)cc2)c2ccc(C(=O)OC(COC(=O)C=C)COC(=O)C(=C)C)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.36
▸ TSHR P16473 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ SERPINE1 P05121 1/20 0.33
▸ HTR7 P34969 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ AR P10275 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ PTPN2 P17706 1/20 0.30
▸ PTPN11 Q06124 1/20 0.30

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
SCHEMBL22820958 0.85 PTPN1 (0.43) PTPN1TSHRALDH1A1LMNASERPINE1
SCHEMBL21422384 0.77 PTPN1 (0.48) PTPN1TSHRLMNASERPINE1POLB
SCHEMBL18567468 0.77 TSHR (0.49) TSHRALDH1A1CYP3A4HSD17B10THRB
SCHEMBL176350 0.75 TSHR (0.50) TSHRALDH1A1CYP3A4HSD17B10THRB
SCHEMBL700973 0.75 TSHR (0.50) TSHRALDH1A1CYP3A4HSD17B10THRB
SCHEMBL21422479 0.75 ADRB2 (0.37) PTPN1TSHRALDH1A1LMNACYP3A4
SCHEMBL21422393 0.75 PTPN1 (0.46) PTPN1TSHRALDH1A1LMNASERPINE1
SCHEMBL13569465 0.74 PPARG (0.34) TSHRPOLBAPEX1HTTTDP1
SCHEMBL278832 0.73 ALDH1A1 (0.52) PTPN1TSHRALDH1A1LMNACYP3A4
SCHEMBL13569404 0.73 AR (0.34) TSHRALDH1A1POLBAPEX1HTT

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
US-20190230766-A1 ORGANIC ELECTROLUMINESCENT DEVICE FUJI XEROX CO., LTD. (JP) 2019-07-25 — — US disclosed
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