SCHEMBL1532428

SCHEMBL1532428

CCCCCC(=Cc1ccccc1)C(=O)OC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
CES2 O00748 3/20 0.45
CES1 P23141 3/20 0.45
RECQL P46063 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALOX5 P09917 2/20 0.43
PTGES O14684 1/20 0.43
PPARG P37231 1/20 0.43
AKR1C3 P42330 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
ELANE P08246 1/20 0.39
EGFR P00533 1/20 0.39
APEX1 P27695 2/20 0.39

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
SCHEMBL3028313 0.86 RECQL (0.49) LMNATDP1CES2CES1RECQL
SCHEMBL2187664 0.85 LMNA (0.55) LMNATDP1CES2CES1RECQL
SCHEMBL2187654 0.85 LMNA (0.55) LMNATDP1CES2CES1RECQL
SCHEMBL2187658 0.85 LMNA (0.55) LMNATDP1CES2CES1RECQL
SCHEMBL974014 0.84 TDP1 (0.56) LMNATDP1CES2CES1RECQL
SCHEMBL27773303 0.84 TDP1 (0.56) LMNATDP1CES2CES1RECQL
SCHEMBL2946253 0.83 RECQL (0.60) LMNATDP1CES2CES1RECQL
SCHEMBL2946252 0.83 RECQL (0.60) LMNATDP1CES2CES1RECQL
SCHEMBL7867316 0.83 MEN1 (0.60) LMNATDP1CES2CES1MEN1
SCHEMBL3151573 0.82 LMNA (0.58) LMNATDP1CES2CES1RECQL

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 8 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
EP-2292585-B1 Screening for solid forms by ultrasound crystallization and cocrystallization using ultrasound APTUIT WEST LAFAYETTE LLC (US) 2016-04-27 EP 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
EP-2292585-A1 Screening for solid forms by ultrasound crystallization and cocrystallization using ultrasound APTUIT (KANSAS CITY), LLC (US) 2011-03-09 EP disclosed