SCHEMBL16492448

SCHEMBL16492448

C=C/C=C(\C=C/C)N(C)C(=O)N(C)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.36
▸ PHGDH O43175 1/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ HTT P42858 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33

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
SCHEMBL19696746 0.86 KMT2A (0.39) FAAHPHGDHMGLLKMT2APOLB
SCHEMBL20684573 0.85 FAAH (0.42) FAAHPHGDHMGLLKMT2APOLB
SCHEMBL14547626 0.81 KDM1A (0.44) KMT2AKDM4ESMN1; SMN2ALDH1A1HTT
SCHEMBL20172600 0.77 FAAH (0.32) FAAHPHGDHMGLL
SCHEMBL15499533 0.77 NPSR1 (0.36) FAAHPHGDHMGLLKMT2APOLB
SCHEMBL23955963 0.77 CRHBP (0.36) KMT2APOLBKDM4ESMN1; SMN2NPSR1
SCHEMBL20714541 0.74 FAAH (0.30) FAAHPHGDHMGLL
SCHEMBL20979966 0.74 ALDH1A1 (0.32) FAAHPHGDHMGLLNPSR1ALDH1A1
SCHEMBL22183029 0.73 FAAH (0.46) FAAHPHGDHMGLLKMT2APOLB
SCHEMBL19654987 0.73 — —

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
WO-2015023918-A2 METHODS OF PRODUCING ALKYLFURANS MICROMIDAS, INC. (US) 2015-02-19 — — WO disclosed
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