SCHEMBL8009010

SCHEMBL8009010

CC1=CCC(c2ccccc2Cl)CC1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.51
RECQL P46063 1/20 0.51
MAPK1 P28482 2/20 0.45
LDHA P00338 3/20 0.45
LDHB P07195 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 1/20 0.43
XBP1 P17861 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAP1LC3B Q9GZQ8 1/20 0.41
RXFP1 Q9HBX9 1/20 0.39
USP2 O75604 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
ALOX15 P16050 1/20 0.38

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
SCHEMBL27471554 0.80 TP53 (0.49) TP53RECQLMAPK1LDHALDHB
SCHEMBL11811500 0.76 MAP1LC3B (0.47) MAPK1LDHASMN1; SMN2ALDH1A1LMNA
SCHEMBL24923794 0.73 TP53 (0.49) TP53RECQLMAPK1LDHALDHB
SCHEMBL7561032 0.71 TP53 (0.56) TP53RECQLMAPK1LDHALDHB
SCHEMBL427764 0.71 TP53 (0.85) TP53RECQLMAPK1LDHALDHB
SCHEMBL7568239 0.71 TP53 (0.56) TP53RECQLMAPK1LDHALDHB
SCHEMBL29582956 0.69 TP53 (0.57) TP53RECQLMAPK1LDHALDHB
SCHEMBL21821946 0.69 TP53 (0.57) TP53RECQLMAPK1LDHALDHB
SCHEMBL6797464 0.68 TP53 (1.00) TP53RECQLMAPK1LDHALDHB
SCHEMBL7681186 0.68 TP53 (0.48) TP53RECQLMAPK1LDHALDHB

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
EP-0976707-A1 CYCLOALKYL BENZYL ETHER COMPOUNDS Nissan Chemical Industries, Ltd. (JP) 2000-02-02 EP disclosed