SCHEMBL9240980

SCHEMBL9240980

O=C(C=CCCCO)OCCO

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.48
▸ MAPT P10636 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.42
▸ ATM Q13315 1/20 0.42
▸ MGLL Q99685 1/20 0.40
▸ APP P05067 2/20 0.40
▸ HCAR2 Q8TDS4 4/20 0.37
▸ CYP3A4 P08684 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ CNR2 P34972 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33

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
SCHEMBL8111486 0.86 ATM (0.57) TSHRMAPTALDH1A1ATMMGLL
SCHEMBL7769074 0.85 MGLL (0.58) MAPTALDH1A1ATMMGLLHCAR2
SCHEMBL7769072 0.85 MGLL (0.58) MAPTALDH1A1ATMMGLLHCAR2
SCHEMBL11230681 0.83 MGLL (0.56) MAPTATMMGLLHCAR2CNR2
SCHEMBL30421419 0.83 MGLL (0.56) MAPTATMMGLLHCAR2CNR2
SCHEMBL30932085 0.83 MGLL (0.56) MAPTATMMGLLHCAR2CNR2
SCHEMBL822243 0.82 MGLL (0.55) TSHRMAPTALDH1A1MGLLCYP3A4
SCHEMBL1401100 0.82 HCAR2 (0.52) TSHRMAPTALDH1A1ATMMGLL
SCHEMBL29131601 0.82 MAPT (0.70) TSHRMAPTALDH1A1ATMHCAR2
SCHEMBL17679310 0.82 MAPT (0.70) TSHRMAPTALDH1A1ATMHCAR2

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-5416240-A Preparation of poloxy-alkylene glycols BASF AKTIENGESELLSCHAFT (DE) 1995-05-16 — — US disclosed
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