SCHEMBL11633730

SCHEMBL11633730

CCCCC(C)Cn1c(C)ccc(C(=O)O)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAAO P46952 1/20 0.39
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NR4A1 P22736 3/20 0.34
KDM4E B2RXH2 2/20 0.34
RECQL P46063 2/20 0.34
POLB P06746 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
APEX1 P27695 1/20 0.34
APOBEC3A P31941 1/20 0.34
HIF1A Q16665 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CNR1 P21554 2/20 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
SCHEMBL11635261 0.85 ALDH1A1 (0.40) HAAOALDH1A1MEN1KMT2AKDM4E
SCHEMBL11635537 0.81 PRSS1 (0.42) HAAOALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL11637223 0.80 CNR2 (0.45) HAAOALDH1A1MEN1KMT2ANR4A1
SCHEMBL11637352 0.77 KDM4E (0.43) HAAOALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL11637801 0.77 KDM4E (0.43) HAAOALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL11639242 0.76 HAAO (0.43) HAAOALDH1A1MEN1KMT2ANR4A1
SCHEMBL11637724 0.76 ALDH1A1 (0.45) HAAOALDH1A1MEN1KMT2ANR4A1
SCHEMBL7337363 0.71 HAAO (0.49) HAAOALDH1A1MEN1KMT2ANR4A1
SCHEMBL11665008 0.68 KMT2A (0.44) HAAOALDH1A1MEN1KMT2ANR4A1
Phthalic Acid SCHEMBL7129666 0.67 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AKDM4ERECQL

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
US-4108630-A 1-Alkylpyrid-2-ones ROHM AND HAAS COMPANY (US) 1978-08-22 US disclosed
US-4038065-A 1-ALKYLPYRID-2-ONE ROHM AND HAAS COMPANY (US) 1977-07-26 US disclosed