SCHEMBL6206820

SCHEMBL6206820

O=C(O)COCCCC(=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.60
MAPT P10636 3/20 0.60
LMNA P02545 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
HDAC1 Q13547 5/20 0.59
HDAC8 Q9BY41 5/20 0.59
HDAC3 O15379 1/20 0.59
HDAC4 P56524 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
HDAC9 Q9UKV0 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59
NR4A2 P43354 1/20 0.55
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53

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
SCHEMBL633439 0.89 TDP1 (0.69) TDP1MAPTLMNAL3MBTL1HDAC1
SCHEMBL5422035 0.83 TDP1 (0.73) TDP1MAPTLMNAL3MBTL1HDAC1
SCHEMBL8599281 0.81 TDP1 (0.77) TDP1MAPTLMNAL3MBTL1HDAC1
SCHEMBL6488590 0.81 TDP1 (0.61) TDP1MAPTLMNAL3MBTL1HDAC1
SCHEMBL11878394 0.81 TDP1 (0.58) TDP1MAPTLMNAL3MBTL1HDAC1
SCHEMBL11617258 0.79 TDP1 (0.55) TDP1MAPTLMNAL3MBTL1HDAC1
SCHEMBL3194897 0.79 TDP1 (0.54) TDP1MAPTLMNAL3MBTL1HDAC1
SCHEMBL7068671 0.78 TDP1 (0.95) TDP1MAPTLMNAL3MBTL1HDAC1
SCHEMBL1052631 0.78 TDP1 (0.86) TDP1MAPTLMNAL3MBTL1HDAC1
SCHEMBL5214695 0.78 TDP1 (0.64) TDP1MAPTLMNAL3MBTL1HDAC1

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
EP-1581535-A1 PYRROLOPYRIDAZINE DERIVATIVES Astellas Pharma Inc. (JP) 2005-10-05 EP disclosed
WO-2004063197-A1 PYRROLOPYRIDAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-29 WO disclosed