SCHEMBL9200329

SCHEMBL9200329

O=C(OC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.62
LMNA P02545 3/20 0.58
ALDH1A1 P00352 2/20 0.58
SRD5A2 P31213 1/20 0.57
MAOB P27338 1/20 0.55
KCNK3 O14649 1/20 0.55
NPSR1 Q6W5P4 1/20 0.54
KAT6A Q92794 1/20 0.51
KMT2A Q03164 2/20 0.50
P2RX1 P51575 1/20 0.50
GAA P10253 1/20 0.49
PTGS1 P23219 1/20 0.49
CNR2 P34972 1/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL9200320 0.95 CES2 (0.69) CES2LMNAALDH1A1SRD5A2MAOB
SCHEMBL31406174 0.95 CES2 (0.69) CES2LMNAALDH1A1SRD5A2MAOB
SCHEMBL14893086 0.88 P2RX1 (0.54) CES2LMNAALDH1A1SRD5A2MAOB
SCHEMBL28392703 0.85 CES2 (0.61) CES2LMNAALDH1A1SRD5A2MAOB
SCHEMBL779220 0.84 NPC1 (0.56) CES2LMNAALDH1A1SRD5A2MAOB
SCHEMBL27332603 0.83 ACHE (0.56) LMNAALDH1A1MAPT
SCHEMBL11802784 0.82 CES2 (0.67) CES2LMNAALDH1A1SRD5A2MAOB
SCHEMBL20267656 0.82 CES2 (0.67) CES2LMNAALDH1A1SRD5A2MAOB
SCHEMBL4946599 0.82 CES2 (0.57) CES2LMNAALDH1A1SRD5A2MAOB
SCHEMBL545343 0.81 LMNA (0.58) CES2LMNAALDH1A1KMT2APOLB

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
CN-118026985-A Continuous foaming type concrete air entraining agent and preparation method thereof 江苏奥莱特新材料股份有限公司 2024-05-14 CN claimed
US-20180273819-A1 THERMAL ENERGY STORAGE PHASE AND TEMPERATURE STABILIZATION CHANGE MATERIALS COMPRISING TRIAMINES AND METHODS FOR MAKING AND USING THEM ENTROPY SOLUTIONS LLC (US) 2018-09-27 US claimed
WO-2016179028-A1 THERMAL ENERGY STORAGE PHASE AND TEMPERATURE STABILIZATION CHANGE MATERIALS AND METHODS FOR MAKING AND USING THEM ENTROPY SOLUTIONS, LLC. (US) 2016-11-10 WO claimed
CN-118026985-A Continuous foaming type concrete air entraining agent and preparation method thereof 江苏奥莱特新材料股份有限公司 2024-05-14 CN disclosed
US-20180273819-A1 THERMAL ENERGY STORAGE PHASE AND TEMPERATURE STABILIZATION CHANGE MATERIALS COMPRISING TRIAMINES AND METHODS FOR MAKING AND USING THEM ENTROPY SOLUTIONS LLC (US) 2018-09-27 US disclosed
WO-2016179028-A1 THERMAL ENERGY STORAGE PHASE AND TEMPERATURE STABILIZATION CHANGE MATERIALS AND METHODS FOR MAKING AND USING THEM ENTROPY SOLUTIONS, LLC. (US) 2016-11-10 WO disclosed
EP-0436307-B1 Substituted oxophthalazinyl acetic acids and analogs thereof PFIZER (US) 1995-02-22 EP disclosed
US-5304557-A Aldose reductase inhibitor PFIZER INC. (US) 1994-04-19 US disclosed
EP-0436307-A1 Substituted oxophthalazinyl acetic acids and analogs thereof PFIZER INC. (US) 1991-07-10 EP disclosed