SCHEMBL9418261

SCHEMBL9418261

CCOC(=O)CN(C(=O)Cc1ccccc1)C(C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.49
TP53 P04637 2/20 0.46
TSHR P16473 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LTA4H P09960 1/20 0.41
PPID Q08752 1/20 0.41
NPY5R Q15761 1/20 0.41
F10 P00742 1/20 0.41
OPRM1 P35372 1/20 0.41
F2 P00734 1/20 0.40

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
SCHEMBL25295175 0.80 TP53 (0.40) ALOX5TP53TSHRALDH1A1LMNA
SCHEMBL25255966 0.80 TP53 (0.40) ALOX5TP53TSHRALDH1A1LMNA
SCHEMBL29582293 0.80 TP53 (0.48) ALOX5TP53TSHRALDH1A1MAPT
SCHEMBL21960351 0.79 ALOX5 (0.44) ALOX5TP53ALDH1A1L3MBTL1
SCHEMBL9366543 0.74 SMN1; SMN2 (0.56) TSHRALDH1A1POLBSMN1; SMN2PPID
SCHEMBL9491170 0.74 TSHR (0.44) ALOX5TP53TSHRALDH1A1SMN1; SMN2
SCHEMBL1873977 0.74 ALDH1A1 (0.68) TSHRALDH1A1LMNAL3MBTL1MAPT
SCHEMBL112999 0.74 ALDH1A1 (0.68) TSHRALDH1A1LMNAL3MBTL1MAPT
SCHEMBL1332625 0.74 ALDH1A1 (0.68) TSHRALDH1A1LMNAL3MBTL1MAPT
Benzene SCHEMBL28160801 0.74 ALDH1A1 (0.68) TSHRALDH1A1LMNAL3MBTL1MAPT

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
JP-6247916-A None JP disclosed
JP-H06247916-A PHENYLACETIC ACID AMIDE DERIVATIVE AND RICE BLAST CONTROLLING AGENT CONTAINING THE DERIVATIVE AS ACTIVE COMPONENT MITSUI TOATSU CHEM INC 1994-09-06 JP disclosed