SCHEMBL8980556

SCHEMBL8980556

O=C(NCCCO)c1ccccc1O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.69
TSHR P16473 2/20 0.69
ALDH1A1 P00352 2/20 0.69
MAPT P10636 2/20 0.69
NAAA Q02083 1/20 0.69
NPC1 O15118 1/20 0.69
HPGD P15428 1/20 0.69
NPSR1 Q6W5P4 1/20 0.69
HSD17B10 Q99714 1/20 0.69
NLRP1 Q9C000 1/20 0.69
CDK1 P06493 1/20 0.62
ALOX5 P09917 3/20 0.62
NAMPT P43490 1/20 0.57
HDAC7 Q8WUI4 1/20 0.55
KDM4E B2RXH2 2/20 0.53
MPO P05164 1/20 0.53
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HIF1A Q16665 1/20 0.53
CASP1 P29466 1/20 0.53

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
SCHEMBL823552 0.89 NAAA (0.84) HTTTSHRALDH1A1MAPTNAAA
Hydrochloric Acid SCHEMBL15769552 0.89 HTT (0.73) HTTTSHRALDH1A1MAPTNAAA
SCHEMBL1668940 0.89 ALDH1A1 (0.65) HTTTSHRALDH1A1MAPTNAAA
SCHEMBL31119120 0.87 HTT (0.69) HTTTSHRALDH1A1MAPTNAAA
SCHEMBL31119121 0.87 HTT (0.69) HTTTSHRALDH1A1MAPTNAAA
SCHEMBL5707054 0.87 HTT (0.69) HTTTSHRALDH1A1MAPTNAAA
Hydrochloric Acid SCHEMBL15769882 0.85 HTT (0.67) HTTTSHRALDH1A1MAPTNAAA
SCHEMBL8346286 0.85 HTT (0.67) HTTTSHRALDH1A1MAPTNAAA
SCHEMBL1754800 0.84 TSHR (0.67) HTTTSHRALDH1A1MAPTNAAA
SCHEMBL3148607 0.84 NAAA (0.88) HTTTSHRALDH1A1MAPTNAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711286-A1 BENZOXAZINONES AND BENZOTHIAZINONES ENDOWED WITH THERAPEUTIC ACTIVITY ITALFARMACO S.p.A. (IT) 1996-05-15 EP disclosed
WO-1995004048-A1 BENZOXAZINONES AND BENZOTHIAZINONES ENDOWED WITH THERAPEUTIC ACTIVITY ITALFARMACO S.P.A. (IT) 1995-02-09 WO disclosed
WO-1993025542-A1 BENZOXAZINONE AND BENZOTHIAZINONE DERIVATIVES HAVING CARDIOVASCULAR ACTIVITY ITALFARMACO S.P.A. (IT) 1993-12-23 WO disclosed
US-4742083-A Method of relieving pain and inflammatory conditions employing substituted salicylamides LEVER BROTHERS COMPANY (US) 1988-05-03 US disclosed
US-4725590-A SKIN DISORDERS; ANTIACNE SHAMPOO AND SOAP LEVER BROTHERS COMPANY (US) 1988-02-16 US disclosed
US-4560549-A TOPICAL AND SYSTEMICAL; HUMANS ANIMALS; MICROBIOCIDES LEVER BROTHERS COMPANY (US) 1985-12-24 US disclosed