SCHEMBL30977005

SCHEMBL30977005

C=CCCCCCCCCC(=O)OC.C=CCCCCCCCCC(=O)Oc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.67
ALDH1A1 P00352 2/20 0.67
KMT2A Q03164 3/20 0.53
MAPT P10636 2/20 0.53
HSD17B10 Q99714 2/20 0.53
HTT P42858 1/20 0.53
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
AKT1 P31749 1/20 0.46
TBXAS1 P24557 1/20 0.45
ABCC4 O15439 1/20 0.44
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
ZDHHC2 Q9UIJ5 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL7587172 0.93 PRSS1 (0.56) LMNAALDH1A1KMT2AMAPTPRSS1
SCHEMBL24565376 0.93 PRSS1 (0.56) LMNAALDH1A1KMT2AMAPTPRSS1
SCHEMBL8003045 0.91 PRSS1 (0.55) LMNAALDH1A1KMT2AMAPTPRSS1
SCHEMBL10952993 0.91 PRSS1 (0.54) LMNAALDH1A1KMT2AMAPTHSD17B10
SCHEMBL20563777 0.88 KMT2A (0.67) LMNAALDH1A1KMT2AMAPTHSD17B10
SCHEMBL20564480 0.88 KMT2A (0.67) LMNAALDH1A1KMT2AMAPTHSD17B10
SCHEMBL20563925 0.88 KMT2A (0.67) LMNAALDH1A1KMT2AMAPTHSD17B10
SCHEMBL20563362 0.88 KMT2A (0.67) LMNAALDH1A1KMT2AMAPTHSD17B10
SCHEMBL6536709 0.87 PRSS1 (0.51) LMNAALDH1A1KMT2AMAPTHSD17B10
SCHEMBL9446493 0.87 KMT2A (0.69) LMNAALDH1A1KMT2AMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118255697-A Preparation and application of calcium-magnesium-resistant monoaryl-linked gemini surfactant 华东理工大学 2024-06-28 CN claimed
CN-118255697-A Preparation and application of calcium-magnesium-resistant monoaryl-linked gemini surfactant 华东理工大学 2024-06-28 CN disclosed