SCHEMBL8765796

SCHEMBL8765796

O=C(O)/C=C/c1ccc2c(c1)CC(=O)CCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 5/20 0.45
POLB P06746 5/20 0.45
HSD17B10 Q99714 3/20 0.45
KMT2A Q03164 3/20 0.45
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA3 P07451 3/20 0.45
CA4 P22748 3/20 0.45
CA6 P23280 3/20 0.45
CA5A P35218 3/20 0.45
CA7 P43166 3/20 0.45
CA9 Q16790 3/20 0.45
CA14 Q9ULX7 3/20 0.45
CA5B Q9Y2D0 3/20 0.45
HPGD P15428 2/20 0.45
MAPK1 P28482 2/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 2/20 0.45

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
SCHEMBL8765800 1.00 ALDH1A1 (0.45) ALDH1A1KDM4EPOLBHSD17B10KMT2A
SCHEMBL2728405 0.88 KDM4E (0.53) ALDH1A1KDM4EPOLBHSD17B10KMT2A
SCHEMBL2728401 0.88 KDM4E (0.53) ALDH1A1KDM4EPOLBHSD17B10KMT2A
Hydrochloric Acid SCHEMBL27910221 0.86 KDM4E (0.51) ALDH1A1KDM4EPOLBHSD17B10KMT2A
SCHEMBL7615406 0.84 KDM4E (0.53) ALDH1A1KDM4EPOLBHSD17B10KMT2A
SCHEMBL7615401 0.84 KDM4E (0.53) ALDH1A1KDM4EPOLBHSD17B10KMT2A
SCHEMBL30263749 0.81 KDM4E (0.56) ALDH1A1KDM4EPOLBHSD17B10KMT2A
SCHEMBL30207038 0.81 KDM4E (0.56) ALDH1A1KDM4EPOLBHSD17B10KMT2A
SCHEMBL30567327 0.81 KDM4E (0.56) ALDH1A1KDM4EPOLBHSD17B10KMT2A
SCHEMBL20681307 0.81 KDM4E (0.56) ALDH1A1KDM4EPOLBHSD17B10KMT2A

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