SCHEMBL8568141

SCHEMBL8568141

O=C(O)c1cccc2c3c(Cl)cc(c(=O)oc3=O)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
GLA P06280 2/20 0.46
GPR35 Q9HC97 1/20 0.43
KDM4E B2RXH2 3/20 0.42
TSHR P16473 1/20 0.42
PBRM1 Q86U86 1/20 0.42
HPGD P15428 3/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 2/20 0.40
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
PARP1 P09874 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
SCHEMBL761372 0.80 PARP1 (0.53) ALDH1A1GLAGPR35KDM4ETSHR
SCHEMBL2804188 0.79 ALDH1A1 (0.51) ALDH1A1GLAGPR35KDM4ETSHR
SCHEMBL3668375 0.78 GPR35 (0.51) ALDH1A1GLAGPR35KDM4ETSHR
SCHEMBL3446209 0.76 LMNA (0.43) ALDH1A1GLAGPR35KDM4EHPGD
SCHEMBL6738396 0.75 ALDH1A1 (0.36) ALDH1A1GLAGPR35KDM4ETSHR
SCHEMBL6735105 0.75 ALDH1A1 (0.36) ALDH1A1GLAGPR35KDM4ETSHR
SCHEMBL9684865 0.75 TYMS (0.48) ALDH1A1GLAGPR35KDM4ETSHR
SCHEMBL9521993 0.74 GPR35 (0.47) ALDH1A1GLAGPR35KDM4EHPGD
SCHEMBL4276659 0.72 LMNA (0.42) ALDH1A1GPR35KDM4EHPGDMEN1
SCHEMBL9685053 0.71 TYMS (0.43) ALDH1A1GLAGPR35KDM4ETSHR

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-5808104-A DENTAL FILLINGS WITH HIGH BONDING STRENGTH HERAEUS KULZER GMBH (DE) 1998-09-15 US disclosed