SCHEMBL9862877

SCHEMBL9862877

NC(=O)C(CCO)CCCOc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ RECQL P46063 1/20 0.50
▸ KCNA3 P22001 1/20 0.46
▸ GAA P10253 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ PPARA Q07869 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ TAAR1 Q96RJ0 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
SCHEMBL7428193 0.76 PARP10 (0.50) PARP10ALDH1A1TDP1RECQLKCNA3
SCHEMBL9556813 0.76 PARP10 (0.51) PARP10TDP1KCNA3L3MBTL1PPARA
SCHEMBL9556809 0.76 PARP10 (0.51) PARP10TDP1KCNA3L3MBTL1PPARA
SCHEMBL9860147 0.75 PARP10 (0.53) PARP10ALDH1A1TDP1RECQLKCNA3
SCHEMBL5523873 0.74 TDP1 (0.70) PARP10ALDH1A1TDP1RECQLKCNA3
SCHEMBL14681222 0.74 GRIK1 (0.64) —
SCHEMBL5288095 0.73 TDP1 (0.55) PARP10ALDH1A1TDP1KCNA3PKM
SCHEMBL5515375 0.73 TDP1 (0.59) PARP10TDP1RECQLKCNA3L3MBTL1
SCHEMBL353031 0.72 PARP10 (0.53) PARP10ALDH1A1TDP1GAAPKM
SCHEMBL1326062 0.72 PARP10 (0.61) PARP10ALDH1A1TDP1RECQLKCNA3

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
Send feedback