SCHEMBL7987391

SCHEMBL7987391

CC(C)(CC(=O)O)CN1CCNC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
KMT2A Q03164 3/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 3/20 0.36
FFAR1 O14842 1/20 0.36
CPT2 P23786 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
RET P07949 1/20 0.33
KDR P35968 1/20 0.33
FAAH O00519 1/20 0.33
NAAA Q02083 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 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
SCHEMBL6284959 0.81 KMT2A (0.39) KMT2ARAB9AMEN1SMN1; SMN2KDM4E
SCHEMBL6283661 0.75 KMT2A (0.37) KMT2ARAB9AMEN1SMN1; SMN2KDM4E
SCHEMBL6289753 0.74 KMT2A (0.39) KMT2ARAB9AMEN1SMN1; SMN2KDM4E
SCHEMBL176995 0.72 POLB (0.44) TSHRKMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL6290259 0.72 KMT2A (0.36) KMT2ARAB9AMEN1SMN1; SMN2KDM4E
SCHEMBL8409752 0.71 KMT2A (0.38) TSHRKMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL2637094 0.70 FFAR1 (0.44) TSHRKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL21244970 0.70 POLB (0.42) KMT2ARAB9AMEN1SMN1; SMN2KDM4E
SCHEMBL27830382 0.70 KMT2A (0.35) KMT2ARAB9AMEN1SMN1; SMN2KDM4E
SCHEMBL6289665 0.69 POLB (0.41) KMT2ARAB9AMEN1SMN1; SMN2KDM4E

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-6284767-B1 AIDS; MIXTURE WITH ENZYME INHIBITOR ABBOTT LABORATORIES 2001-09-04 US disclosed