SCHEMBL24103142

SCHEMBL24103142

CCC(=O)CCNC(=O)CCC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CASP2 P42575 1/20 0.39
NAAA Q02083 1/20 0.37
FAAH O00519 5/20 0.36
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 1/20 0.36
SLC15A2 Q16348 1/20 0.36
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.34
DNM1 Q05193 2/20 0.34
CNR1 P21554 3/20 0.33
CNR2 P34972 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
SCHEMBL8558665 0.82 MEN1 (0.61) ALDH1A1MEN1KMT2ACASP2NAAA
SCHEMBL27311969 0.82 CA12 (0.37) ALDH1A1MEN1KMT2ACASP2NAAA
SCHEMBL17776266 0.82 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ACASP2NAAA
SCHEMBL26700020 0.81 FAAH (0.47) ALDH1A1MEN1KMT2ACASP2NAAA
SCHEMBL16592000 0.81 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ACASP2NAAA
SCHEMBL27103869 0.81 CA12 (0.39) ALDH1A1MEN1KMT2ACASP2NAAA
SCHEMBL9921404 0.80 CASP2 (0.48) ALDH1A1MEN1KMT2ACASP2NAAA
SCHEMBL24760591 0.79 CASP2 (0.53) MEN1KMT2ACASP2NAAAFAAH
SCHEMBL1171551 0.78 CASP2 (0.47) ALDH1A1MEN1KMT2ACASP2NAAA
SCHEMBL13096794 0.78 KDM4E (0.50) ALDH1A1MEN1KMT2ATDP1TSHR

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-2021252761-A2 MONOMERIC AND OLIGOMERIC COMPOUND EMBODIMENTS AS CONTRACEPTIVES AND THERAPIES AND METHODS OF MAKING AND USING THE SAME THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-12-16 WO disclosed