SCHEMBL11070387

SCHEMBL11070387

CCC(CC)(C(=O)O)C(=O)ON(Cc1ccc(OC)cc1OC)C(=O)CCl

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 5/20 0.41
TSHR P16473 2/20 0.41
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL11092177 0.79 ALDH1A1 (0.53) POLBALDH1A1KDM4ETSHRKMT2A
SCHEMBL11069887 0.76 ALDH1A1 (0.44) POLBALDH1A1KDM4EKMT2AMEN1
SCHEMBL15670616 0.75 KMT2A (0.49) POLBALDH1A1KDM4ETSHRKMT2A
SCHEMBL2564116 0.73 APLNR (0.50) ALDH1A1TSHRKMT2AMEN1HTT
SCHEMBL13544517 0.70 TAS1R3 (0.53) POLBALDH1A1TSHRKMT2AMEN1
SCHEMBL2564118 0.70 POLB (0.52) POLBALDH1A1KDM4ETSHRKMT2A
SCHEMBL10903904 0.70 ALDH1A1 (0.44) POLBALDH1A1KDM4ETSHRKMT2A
SCHEMBL15366455 0.69 ALDH1A1 (0.47) POLBALDH1A1KDM4ETSHRKMT2A
SCHEMBL11160909 0.67 HSD17B10 (0.55) KMT2AMEN1
SCHEMBL21246777 0.67 TSPO (0.49) POLBALDH1A1KDM4ETSHRKMT2A

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-4435322-A Heterocyclic compounds containing an alkoxycarbonyl and a substituted methyl group RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1984-03-06 US disclosed