SCHEMBL9860147

SCHEMBL9860147

NC(=O)C(C=O)CCCOc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 1/20 0.53
▸ TDP1 Q9NUW8 2/20 0.50
▸ KCNA3 P22001 1/20 0.46
▸ PKM P14618 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ DRD2 P14416 1/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.42
▸ RECQL P46063 1/20 0.42

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
SCHEMBL9862877 0.75 PARP10 (0.53) PARP10TDP1KCNA3PKML3MBTL1
SCHEMBL5523873 0.74 TDP1 (0.70) PARP10TDP1KCNA3PKML3MBTL1
SCHEMBL27252478 0.74 HTT (0.43) PARP10
SCHEMBL5288095 0.73 TDP1 (0.55) PARP10TDP1KCNA3PKML3MBTL1
SCHEMBL353031 0.72 PARP10 (0.53) PARP10TDP1PKML3MBTL1HPGD
SCHEMBL1326062 0.72 PARP10 (0.61) PARP10TDP1KCNA3PKML3MBTL1
SCHEMBL5133482 0.71 TDP1 (0.57) PARP10TDP1KCNA3PKML3MBTL1
SCHEMBL6049799 0.71 TDP1 (0.53) PARP10TDP1KCNA3PKML3MBTL1
SCHEMBL10652176 0.71 PPARG (0.52) PARP10TDP1KCNA3HDAC1HDAC2
SCHEMBL6849706 0.71 KCNA3 (0.64) PARP10TDP1KCNA3PKML3MBTL1

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
US-4988828-A Antiulcer agents, antagonist for histamine H2 receptors FUJIREBIO KABUSHIKI KAISHA (JP) 1991-01-29 — — US disclosed
EP-0318036-A2 Phenoxypropyl derivatives FUJIREBIO KABUSHIKI KAISHA (JP) 1989-05-31 — — EP disclosed
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