SCHEMBL5908922

SCHEMBL5908922

CC(C)CC(OP(=O)(O)O)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 10/20 0.41
ANPEP P15144 5/20 0.41
ERAP1 Q9NZ08 1/20 0.41
SMPD1 P17405 3/20 0.35
PTPN1 P18031 1/20 0.35
BTN3A1 O00481 1/20 0.31
MMP1 P03956 1/20 0.30
MMP8 P22894 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
SCHEMBL3625655 0.81 LAP3 (0.38) LAP3ANPEPERAP1
SCHEMBL1921579 0.79 SMPD1 (0.41) LAP3SMPD1PTPN1MMP1MMP8
SCHEMBL18826043 0.78 LAP3 (0.46) LAP3ANPEPERAP1SMPD1MMP1
SCHEMBL11742447 0.78 PPARD (0.42) LAP3ANPEPERAP1
SCHEMBL27302689 0.76 LAP3 (0.44) LAP3ANPEPERAP1SMPD1MMP1
SCHEMBL1923670 0.76 SMPD1 (0.47) SMPD1PTPN1
SCHEMBL11312700 0.75 LAP3 (0.33) LAP3ANPEPERAP1
SCHEMBL31326907 0.74 LAP3 (0.43) LAP3ANPEPERAP1SMPD1MMP1
SCHEMBL28359338 0.74 LAP3 (0.43) LAP3ANPEPERAP1SMPD1MMP1
SCHEMBL11526841 0.73 LAP3 (0.32) LAP3ANPEPERAP1

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
US-20060014843-A1 Vapor pressure depressant and use thereof DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) 2006-01-19 US claimed
EP-1561793-A1 VAPOR PRESSURE DEPRESSANT AND USE THEREOF Daihachi Chemical Industry Co., Ltd. (JP) 2005-08-10 EP claimed
US-20060014843-A1 Vapor pressure depressant and use thereof DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) 2006-01-19 US disclosed
EP-1561793-A1 VAPOR PRESSURE DEPRESSANT AND USE THEREOF Daihachi Chemical Industry Co., Ltd. (JP) 2005-08-10 EP disclosed