SCHEMBL27704445

SCHEMBL27704445

O=C(O)C1C[CH]c2ccccc2O1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.41
▸ CASP6 P55212 1/20 0.41
▸ HPGD P15428 5/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CYP2C19 P33261 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6639183 0.86 SIRT1 (0.43) POLBMEN1KMT2ASIRT1
SCHEMBL5847146 0.70 HPGD (0.64) HPGDSMN1; SMN2TSHRRAB9A
SCHEMBL1519327 0.70 HPGD (0.64) HPGDSMN1; SMN2TSHRRAB9A
SCHEMBL1300333 0.70 HPGD (0.61) POLBHPGDSMN1; SMN2HTTMEN1
SCHEMBL566636 0.70 HPGD (0.61) POLBHPGDSMN1; SMN2HTTMEN1
SCHEMBL29437007 0.70 HPGD (0.61) POLBHPGDSMN1; SMN2HTTMEN1
SCHEMBL229498 0.70 HPGD (0.61) POLBHPGDSMN1; SMN2HTTMEN1
SCHEMBL5109501 0.70 HPGD (0.64) HPGDSMN1; SMN2TSHRRAB9A
SCHEMBL5884655 0.70 MAOB (0.47) HPGDTSHRALDH1A1KDM4ERAB9A
SCHEMBL9530592 0.69 BRD4 (0.40) POLBHPGDSMN1; SMN2TSHRMEN1

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
CN-101316507-A Liquid formulations containing dialkyl sulfosuccinate and hydroxyphenylpyruvate dioxygenase inhibitors BAYER CROPSCIENCE AG (DE) 2008-12-03 — — CN disclosed
CN-101188938-A Herbicide BAYER CROPSCIENCE AG (DE) 2008-05-28 — — CN disclosed
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