SCHEMBL8766446

SCHEMBL8766446

COc1ccc2c(c1)C1(CCC2)CO1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.49
SIGMAR1 Q99720 4/20 0.48
POLA1 P09884 4/20 0.45
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 1/20 0.42
THRB P10828 1/20 0.42
MAPK1 P28482 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
SCHEMBL17591317 0.80 SLC22A1 (0.42) KDM1ASIGMAR1POLA1CYP3A4TSHR
SCHEMBL17591367 0.80 EHMT2 (0.43) KDM1APOLA1CYP3A4CYP2C9TSHR
SCHEMBL5735496 0.79 KDM1A (0.51) KDM1ASIGMAR1POLA1CYP3A4CYP2C9
SCHEMBL4984411 0.77 POLA1 (0.51) KDM1ASIGMAR1POLA1CYP3A4CYP2C9
SCHEMBL29587519 0.77 POLA1 (0.51) KDM1ASIGMAR1POLA1CYP3A4CYP2C9
SCHEMBL19127517 0.75 KDM1A (0.45) KDM1ASIGMAR1POLA1CYP3A4CYP2C9
SCHEMBL9252967 0.74 KDM1A (0.50) KDM1ASIGMAR1POLA1CYP3A4CYP2C9
SCHEMBL17963560 0.74 KDM1A (0.61) KDM1ASIGMAR1POLA1CYP3A4TSHR
SCHEMBL26008396 0.74 HTR2C (0.42) SIGMAR1CYP3A4TSHRALDH1A1THRB
SCHEMBL8589180 0.73 CYP3A4 (0.51) KDM1ASIGMAR1POLA1CYP3A4CYP2C9

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