SCHEMBL7689331

SCHEMBL7689331

COCC(O)=C1C(=O)CC(c2ccccc2Cl)CC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.48
RECQL P46063 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
XBP1 P17861 1/20 0.46
LDHA P00338 3/20 0.45
LDHB P07195 2/20 0.45
MAP1LC3B Q9GZQ8 3/20 0.44
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.40
PKM P14618 2/20 0.39
HPGD P15428 2/20 0.39
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
USP2 O75604 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
SCHEMBL7568239 0.80 TP53 (0.56) TP53RECQLSMN1; SMN2ALDH1A1MAPK1
SCHEMBL7681257 0.69 SMN1; SMN2 (0.45) TP53RECQLSMN1; SMN2ALDH1A1MAPK1
SCHEMBL29582956 0.69 TP53 (0.57) TP53RECQLSMN1; SMN2ALDH1A1MAPK1
SCHEMBL21821946 0.69 TP53 (0.57) TP53RECQLSMN1; SMN2ALDH1A1MAPK1
SCHEMBL427764 0.69 TP53 (0.85) TP53RECQLSMN1; SMN2ALDH1A1MAPK1
SCHEMBL7565943 0.66 TP53 (0.53) TP53RECQLSMN1; SMN2ALDH1A1MAPK1
SCHEMBL6797464 0.66 TP53 (1.00) TP53RECQLSMN1; SMN2ALDH1A1MAPK1
SCHEMBL7561032 0.65 TP53 (0.56) TP53RECQLSMN1; SMN2ALDH1A1MAPK1
SCHEMBL8009010 0.65 TP53 (0.51) TP53RECQLSMN1; SMN2ALDH1A1MAPK1
SCHEMBL7560783 0.65 TP53 (0.56) TP53RECQLSMN1; SMN2ALDH1A1MAPK1

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
US-6350749-B1 SODIUM CHANNEL MODULATORS, ANTIARRHYTHMIA AND HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS, ANGINA PECTORIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-02-26 US disclosed
EP-1057812-A1 AMINOGUANIDINE HYDRAZONE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-12-06 EP disclosed