SCHEMBL25263678

SCHEMBL25263678

O=C(OSOC(=O)c1ccco1)c1ccco1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.61
▸ CES1 P23141 1/20 0.61
▸ KMT2A Q03164 11/20 0.56
▸ PTPN1 P18031 2/20 0.55
▸ ALDH1A1 P00352 5/20 0.50
▸ HSD17B10 Q99714 4/20 0.50
▸ PTPN2 P17706 1/20 0.50
▸ PTPN6 P29350 1/20 0.50
▸ PTPN11 Q06124 1/20 0.50
▸ POLB P06746 3/20 0.48
▸ RECQL P46063 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ APEX1 P27695 1/20 0.48
▸ PKM P14618 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MAPT P10636 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALOX15 P16050 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
SCHEMBL2201261 0.80 CES2 (0.62) CES2CES1KMT2APTPN1ALDH1A1
SCHEMBL896787 0.80 CES2 (0.62) CES2CES1KMT2APTPN1ALDH1A1
SCHEMBL6690863 0.78 — —
SCHEMBL7897291 0.78 — —
Furan SCHEMBL27960928 0.78 KMT2A (0.47) CES2CES1KMT2APTPN1ALDH1A1
SCHEMBL11337831 0.77 TSHR (0.50) CES2CES1KMT2APTPN1ALDH1A1
SCHEMBL2155972 0.77 CES2 (1.00) CES2CES1KMT2APTPN1ALDH1A1
SCHEMBL15233 0.77 CES2 (1.00) CES2CES1KMT2APTPN1ALDH1A1
SCHEMBL17922016 0.77 — —
SCHEMBL8931340 0.77 — —

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
WO-2023118667-A1 SULFUR-BRIDGED THERMOPLASTIC POLYESTERS AND THERMOSETS FROM FURFURAL OULUN YLIOPISTO (FI) 2023-06-29 — — WO disclosed
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