SCHEMBL11860366

SCHEMBL11860366

C=C(C)C(=O)NCc1cc(C)cc(=O)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 3/20 0.40
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
THRB P10828 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 4/20 0.32
HTT P42858 1/20 0.32
USP2 O75604 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
KDM4C Q9H3R0 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
SCHEMBL11861951 0.73 MAPT (0.46) MAPTSMN1; SMN2KMT2AKDM4ECA1
SCHEMBL11867587 0.72 ALDH1A1 (0.37) SMN1; SMN2KDM4ERAB9ANPC1THRB
SCHEMBL11864743 0.70 MAPT (0.41) MAPTSMN1; SMN2KMT2AKDM4ECA1
SCHEMBL10961859 0.69 MAPT (0.62) MAPTSMN1; SMN2KMT2AKDM4ECA1
SCHEMBL11527449 0.69 KMT2A (0.36) KMT2A
SCHEMBL11857804 0.69 ALDH1A1 (0.35) SMN1; SMN2KDM4ERAB9AALDH1A1GAA
SCHEMBL11857584 0.68 MAPT (0.51) MAPTSMN1; SMN2KMT2AKDM4ECA1
SCHEMBL30165066 0.68 MAPT (1.00) MAPTSMN1; SMN2KMT2AKDM4ECA1
SCHEMBL5024307 0.67 SMN1; SMN2 (0.56) SMN1; SMN2KMT2AKDM4ERAB9ANPC1
SCHEMBL10961858 0.67 MAPT (0.64) MAPTSMN1; SMN2KMT2AKDM4ECA1

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-3969323-A Photo-crosslinkable 2-pyrone polymers and processes for the manufacture thereof HOECHST AKTIENGESELLSCHAFT (DT) 1976-07-13 US disclosed