SCHEMBL4945287

SCHEMBL4945287

C=CCCC(=C)C(=O)O.C=CCNCC=C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 2/20 0.36
ABCC4 O15439 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.32
USP2 O75604 1/20 0.31
HTT P42858 1/20 0.31
FAAH O00519 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL16618079 0.87 MAPT (0.44) ALOX15HSD17B10MAPTABCC4SMN1; SMN2
SCHEMBL18828 0.87
SCHEMBL4562517 0.85 MAPT (0.43) ALOX15HSD17B10MAPTABCC4SMN1; SMN2
Ammonia Solution, Strong SCHEMBL1076582 0.85 MAPT (0.43) ALOX15HSD17B10MAPTABCC4SMN1; SMN2
Fluoride SCHEMBL12006687 0.85 MAPT (0.43) ALOX15HSD17B10MAPTABCC4SMN1; SMN2
Hydrochloric Acid SCHEMBL2880740 0.83 ABCC4 (0.41) ALOX15HSD17B10MAPTABCC4ALDH1A1
Butadiene SCHEMBL7115021 0.83 ABCC4 (0.41) ALOX15HSD17B10MAPTABCC4ALDH1A1
Itaconate SCHEMBL11363547 0.82 ALOX15 (0.63) ALOX15HSD17B10MAPTABCC4TSHR
SCHEMBL1489418 0.82 ALOX15 (0.42) ALOX15HSD17B10MAPTTSHRSMN1; SMN2
Carbamic Acid SCHEMBL4928399 0.81 ABCC4 (0.40) ALOX15HSD17B10MAPTABCC4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045420-A1 Zwitterionic Polymers Comprising Betaine-Type Units And Use Of Zwitterionic Polymers In Drilling Fluids RHODIA CHIMIE (FR) 2008-02-21 US claimed