SCHEMBL8765867

SCHEMBL8765867

COc1cccc(CC(CCC(=O)O)[N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
TAAR1 Q96RJ0 2/20 0.47
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MME P08473 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CTBP2 P56545 1/20 0.43
MAPT P10636 3/20 0.43
FFAR1 O14842 1/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
HIF1A Q16665 1/20 0.42
MAOB P27338 1/20 0.42
PTGFR P43088 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL9544466 1.00 CYP1A2 (0.47) CYP1A2TAAR1HDAC1HDAC6MME
SCHEMBL8765558 0.86 TAAR1 (0.43) CYP1A2TAAR1HDAC1HDAC6MEN1
SCHEMBL798373 0.84 TAAR1 (0.51) TAAR1MEN1KMT2AMAPTALDH1A1
SCHEMBL9548337 0.81 CPA3 (0.56) CYP1A2MMEFFAR1
SCHEMBL6971997 0.76 KDM4E (0.46) LMNAALDH1A1
SCHEMBL4555592 0.75 ALOX5 (0.46) MEN1KMT2ALMNAALDH1A1MAOB
SCHEMBL8765871 0.75 MME (0.51) CYP1A2TAAR1HDAC1HDAC6MME
SCHEMBL8765859 0.75 MME (0.51) CYP1A2TAAR1HDAC1HDAC6MME
SCHEMBL27367484 0.74 LMNA (0.44) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL20543688 0.73 TAAR1 (0.48) CYP1A2TAAR1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0583485-B1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-13 EP disclosed
US-5387710-A Ethanolamine derivatives having sympathomimetic and anti-pollakiuria activities FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-02-07 US disclosed
EP-0583485-A1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES. FUJISAWA PHARMACEUTICAL CO (JP) 1994-02-23 EP disclosed
WO-1993015041-A1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-05 WO disclosed