SCHEMBL11258911

SCHEMBL11258911

O=C(Cc1cccs1)OCCOCCOCCOCCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 6/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ POLB P06746 4/20 0.50
▸ MAPT P10636 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ TSHR P16473 2/20 0.48
▸ NPC1 O15118 4/20 0.47
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ PKM P14618 1/20 0.44
▸ HPGD P15428 1/20 0.43
▸ CYP2C19 P33261 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CASP3 P42574 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 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
SCHEMBL11249841 1.00 L3MBTL1 (0.50) L3MBTL1ALDH1A1POLBMAPTTDP1
SCHEMBL11254794 0.87 L3MBTL1 (0.49) L3MBTL1ALDH1A1POLBMAPTTDP1
SCHEMBL9495408 0.80 NPC1 (0.58) L3MBTL1ALDH1A1POLBMAPTTDP1
SCHEMBL8905819 0.79 TAAR1 (0.48) L3MBTL1ALDH1A1POLBMAPTTDP1
SCHEMBL6536540 0.78 L3MBTL1 (0.49) L3MBTL1ALDH1A1POLBMAPTTDP1
SCHEMBL9498848 0.77 ALDH1A1 (0.59) L3MBTL1ALDH1A1POLBMAPTTDP1
Alcohol SCHEMBL29045225 0.76 POLB (0.57) L3MBTL1ALDH1A1POLBMAPTTDP1
SCHEMBL9495815 0.76 ALDH1A1 (0.54) L3MBTL1ALDH1A1POLBMAPTTDP1
SCHEMBL358221 0.76 POLB (0.60) L3MBTL1ALDH1A1POLBMAPTTDP1
SCHEMBL28097991 0.75 ALDH1A1 (0.57) L3MBTL1ALDH1A1POLBMAPTSMN1; SMN2

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-4340672-A Enzymatic synthesis of β-lactam antibacterials SHIONOGI & CO., LTD. (JP) 1982-07-20 — — US disclosed
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