SCHEMBL6813683

SCHEMBL6813683

CCOC(=O)COc1ccc(CCBr)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.46
▸ ALDH1A1 P00352 9/20 0.46
▸ MAPT P10636 8/20 0.45
▸ HPGD P15428 4/20 0.45
▸ NPSR1 Q6W5P4 3/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ NTSR1 P30989 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ TLR9 Q9NR96 2/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ S1PR4 O95977 1/20 0.45
▸ ITGA4 P13612 1/20 0.45
▸ S1PR1 P21453 1/20 0.45
▸ POLB P06746 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43

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
SCHEMBL6813898 0.89 CYP4F2 (0.48) LMNAALDH1A1MAPTHPGDNPSR1
SCHEMBL5415394 0.86 ALDH1A1 (0.49) LMNAALDH1A1MAPTHPGDNPSR1
SCHEMBL16413003 0.83 ALDH1A1 (0.51) LMNAALDH1A1MAPTHPGDNPSR1
SCHEMBL6960 0.83 ALDH1A1 (0.56) LMNAALDH1A1MAPTHPGDNPSR1
SCHEMBL6813642 0.82 ESR1 (0.52) ALDH1A1HPGDNPSR1CYP1A2CYP2C9
SCHEMBL182652 0.81 MAPT (0.52) LMNAALDH1A1MAPTHPGDNPSR1
SCHEMBL6813807 0.81 ESR1 (0.48) ALDH1A1HPGDNPSR1KDM4EMEN1
SCHEMBL6813752 0.81 ALDH1A1 (0.45) LMNAALDH1A1MAPTHPGDNPSR1
SCHEMBL6813613 0.81 GAA (0.50) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL6813693 0.81 ALDH1A1 (0.48) LMNAALDH1A1MEN1KMT2AHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095932-B1 PHENOXYACETIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME KISSEI PHARMACEUTICAL (JP) 2004-05-19 — — EP disclosed
US-6538152-B1 Obesity, hyperglycemia, urinary incontinence, intestinal or biliary calculi hypermotility, pollakiuria and depression treatment KISSEI PHARMACEUTICAL CO., LTD. (JP) 2003-03-25 — — US disclosed
EP-1095932-A1 PHENOXYACETIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2001-05-02 — — EP disclosed
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