SCHEMBL9130418

SCHEMBL9130418

Cc1noc(C(=O)NC(C)(C)C)c1C(=O)OCC#CI

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.34
TSHR P16473 2/20 0.32
PKM P14618 2/20 0.32
ATM Q13315 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM4E B2RXH2 2/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL9446181 0.79 HTT (0.44) ALDH1A1TSHRKDM4EHTTSMN1; SMN2
SCHEMBL9240927 0.74 GAA (0.38) ALDH1A1TSHRKDM4ESMN1; SMN2POLB
SCHEMBL9133446 0.73 ALDH1A1 (0.35) ALDH1A1TSHRPKMKDM4EHTT
SCHEMBL9133440 0.73 ALDH1A1 (0.35) ALDH1A1TSHRPKMKDM4EHTT
SCHEMBL9446208 0.72 RAB9A (0.42) ALDH1A1CYP2C9KDM4EHTTSMN1; SMN2
SCHEMBL9201816 0.68 GAA (0.37) ALDH1A1TSHRKDM4EHTTSMN1; SMN2
SCHEMBL9129515 0.67 LMNA (0.33) ALDH1A1HTTLMNA
SCHEMBL9129521 0.67 LMNA (0.33) ALDH1A1HTTLMNA
SCHEMBL7568178 0.67 KMT2A (0.32) L3MBTL1
SCHEMBL1641384 0.66 ALDH1A1 (0.50) ALDH1A1TSHRPKMATMKDM4E

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-5399544-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1995-03-21 US disclosed