SCHEMBL11642256

SCHEMBL11642256

CCOc1ccc(OC(=O)C2CCCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.68
HTT P42858 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
LMNA P02545 1/20 0.56
POLB P06746 2/20 0.55
ELANE P08246 2/20 0.55
HPGD P15428 3/20 0.52
USP2 O75604 1/20 0.52
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
ATM Q13315 1/20 0.51
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
PKM P14618 1/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49

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
SCHEMBL18551974 0.98 KMT2A (0.66) KMT2AHTTSMN1; SMN2TDP1LMNA
SCHEMBL18417199 0.93 KMT2A (0.61) KMT2AHTTSMN1; SMN2TDP1LMNA
SCHEMBL9117935 0.93 KMT2A (0.61) KMT2AHTTSMN1; SMN2TDP1LMNA
SCHEMBL12444455 0.87 KMT2A (0.54) KMT2AHTTSMN1; SMN2TDP1LMNA
SCHEMBL1895159 0.86 KMT2A (0.53) KMT2AHTTSMN1; SMN2TDP1LMNA
SCHEMBL27438682 0.86 KMT2A (0.62) KMT2AHTTSMN1; SMN2TDP1LMNA
SCHEMBL10574401 0.84 KMT2A (0.88) KMT2AHTTSMN1; SMN2TDP1POLB
SCHEMBL7763807 0.83 KMT2A (0.50) KMT2AHTTSMN1; SMN2TDP1LMNA
SCHEMBL11404207 0.83 KMT2A (0.50) KMT2AHTTSMN1; SMN2TDP1LMNA
SCHEMBL2213018 0.83 KMT2A (0.50) KMT2AHTTSMN1; SMN2TDP1LMNA

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-4130559-A BACTERICIDES TSINKER MAIA G 1978-12-19 US disclosed