SCHEMBL12475203

SCHEMBL12475203

CC1(C)OB(c2cc(CO)ccc2CO)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 10/20 0.40
LPL P06858 9/20 0.40
F11 P03951 2/20 0.39
EGFR P00533 1/20 0.34
ESR2 Q92731 1/20 0.33
UCHL1 P09936 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ROCK1 Q13464 1/20 0.32
F2 P00734 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
HIF1A Q16665 1/20 0.30

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
SCHEMBL15000455 0.83 LIPG (0.40) LIPGLPLF11ESR2UCHL1
SCHEMBL15941075 0.82 CYP4F2 (0.40) LIPGLPLF11EGFRESR2
SCHEMBL24892628 0.82 LPL (0.44) LIPGLPLF11CA1CA2
SCHEMBL19899461 0.80 LIPG (0.40) LIPGLPLF11ESR2UCHL1
SCHEMBL2725415 0.80 TTR (0.41) LIPGLPLF11EGFRUCHL1
SCHEMBL2699203 0.79 LIPG (0.39) LIPGLPLF11ESR2UCHL1
SCHEMBL14707184 0.79 LIPG (0.39) LIPGLPLF11ESR2UCHL1
SCHEMBL30577723 0.79 F11 (0.41) LIPGLPLF11ESR2UCHL1
SCHEMBL19125562 0.78 LIPG (0.45) LIPGLPLF11ESR2UCHL1
SCHEMBL30737822 0.77 LPL (0.42) LIPGLPLF11ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2673281-B1 BORON CONTAINING POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTICS USES THEREOF REMPEX PHARMACEUTICALS INC (US) 2016-04-13 EP disclosed
EP-2673281-B1 BORON CONTAINING POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTICS USES THEREOF REMPEX PHARMACEUTICALS INC (US) 2016-04-13 EP disclosed
US-8933018-B2 Boron containing polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed
US-8933018-B2 Boron containing polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed
US-8933018-B2 Boron containing polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed
EP-2673281-A1 BORON CONTAINING POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTICS USES THEREOF Rempex Pharmaceuticals, Inc. (US) 2013-12-18 EP disclosed
WO-2012109164-A1 BORON CONTAINING POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTICS USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2012-08-16 WO disclosed