SCHEMBL8412933

SCHEMBL8412933

CCOC(=O)CCC(=O)c1ccc(=O)[nH]c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 3/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.40
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
MEN1 O00255 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ESR1 P03372 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 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
SCHEMBL8409654 0.84 POLB (0.48) KMT2AMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL16891423 0.80 HSD17B3 (0.53) KMT2AHPGDALDH1A1LMNASMN1; SMN2
SCHEMBL1680458 0.79 CA12 (0.55) KMT2AMAPTHPGDALDH1A1TDP1
SCHEMBL10749473 0.77 KMT2A (0.61) KMT2AMAPTHPGDALDH1A1TDP1
SCHEMBL8619424 0.77 NR4A2 (0.52) KMT2AHPGDALDH1A1LMNASMN1; SMN2
SCHEMBL1374042 0.76 HSD17B3 (0.61) KMT2AMAPTHPGDALDH1A1TDP1
SCHEMBL6650021 0.74 LMNA (0.61) KMT2AMAPTHPGDALDH1A1TDP1
SCHEMBL4686898 0.74 LMNA (0.61) KMT2AMAPTHPGDALDH1A1TDP1
SCHEMBL10456907 0.74 KMT2A (0.68) KMT2AMAPTHPGDALDH1A1TDP1
SCHEMBL10596300 0.74 KMT2A (0.65) KMT2AMAPTHPGDALDH1A1TDP1

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-5994540-A HYDROXY- AND CHLORO-PYRIDYLPYRIDAZINONE DERIVATIVES LONZA, LTD. (CH) 1999-11-30 US disclosed