SCHEMBL1532460

SCHEMBL1532460

O=C(/C=C/c1ccccc1)OCC=Cc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.65
AKR1B10 O60218 5/20 0.61
AKR1B1 P15121 5/20 0.61
CA12 O43570 1/20 0.55
CA4 P22748 1/20 0.55
CA6 P23280 1/20 0.55
CA5A P35218 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
CA5B Q9Y2D0 1/20 0.55
KMT2A Q03164 3/20 0.52
RAB9A P51151 2/20 0.52
MEN1 O00255 2/20 0.52
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP12 P39900 1/20 0.52
ALDH1A1 P00352 2/20 0.52
HDAC3 O15379 1/20 0.52

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
SCHEMBL827239 1.00 LMNA (0.65) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL112365 1.00 LMNA (0.65) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL14764012 1.00 LMNA (0.65) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL112366 1.00 LMNA (0.65) LMNAAKR1B10AKR1B1CA12CA4
Cinnamic Acid SCHEMBL17633997 0.95 HCAR2 (0.61) LMNAAKR1B10AKR1B1CA12CA4
Cinnamic Acid SCHEMBL29405909 0.95 HCAR2 (0.61) LMNAAKR1B10AKR1B1CA12CA4
Formic Acid SCHEMBL5773170 0.95 LMNA (0.59) LMNAAKR1B10AKR1B1CA12CA4
Formic Acid SCHEMBL5773163 0.95 LMNA (0.59) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL11230445 0.95 LMNA (0.57) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL31289287 0.92 AKR1B10 (0.68) LMNAAKR1B10AKR1B1CA12CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10309212-B2 Energetic cocrystals for treatment of a subterranean formation HALLIBURTON ENERGY SERVICES, INC. (US) 2019-06-04 US disclosed
US-10253244-B2 Scale-inhibiting cocrystals for treatment of a subterranean formation HALLIBURTON ENERGY SERVICES, INC. (US) 2019-04-09 US disclosed
US-20160177698-A1 ENERGETIC COCRYSTALS FOR TREATMENT OF A SUBTERRANEAN FORMATION HALLIBURTON ENERGY SERVICES, INC. 2016-06-23 US disclosed
US-20160130496-A1 SCALE-INHIBITING COCRYSTALS FOR TREATMENT OF A SUBTERRANEAN FORMATION HALLIBURTON ENERGY SERVICES, INC. 2016-05-12 US disclosed
WO-2015034478-A1 SCALE-INHIBITING COCRYSTALS FOR TREATMENT OF A SUBTERRANEAN FORMATION HALLIBURTON ENERGY SERVICES, INC. (US) 2015-03-12 WO disclosed
WO-2015030730-A1 ENERGETIC COCRYSTALS FOR TREATMENT OF A SUBTERRANEAN FORMATION HALLIBURTON ENERGY SERVICES, INC. (US) 2015-03-05 WO disclosed
US-20110257430-A1 NOVEL COCRYSTALLIZATION APTUIT (KANSAS CITY), LLC (US) 2011-10-20 US disclosed
US-20110251426-A1 SCREENING FOR SOLID FORMS BY ULTRASOUND CRYSTALLIZATION AND COCRYSTALLIZATION USING ULTRASOUND S.S.C.I., INC. (US) 2011-10-13 US disclosed
EP-2292585-A1 Screening for solid forms by ultrasound crystallization and cocrystallization using ultrasound APTUIT (KANSAS CITY), LLC (US) 2011-03-09 EP disclosed