SCHEMBL2479744

SCHEMBL2479744

CCOC(=O)CCC(C)NCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
SIGMAR1 Q99720 3/20 0.51
ALOX5 P09917 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
POLB P06746 1/20 0.46
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46

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
Ethyl 3-Phenylpropanoate SCHEMBL28249480 0.80 TDP1 (0.60) SMN1; SMN2ALOX5TDP1CYP4F2CYP4A11
SCHEMBL3548117 0.79 LTA4H (0.62) SMN1; SMN2SIGMAR1ALOX5HDAC3HDAC4
SCHEMBL3558326 0.79 SMN1; SMN2 (0.52) OPRK1SMN1; SMN2SIGMAR1HDAC3HDAC4
Ethyl 3-Phenylpropanoate SCHEMBL304816 0.77 TDP1 (0.75) SMN1; SMN2ALOX5TDP1CYP4F2CYP4A11
SCHEMBL11796548 0.77 SIGMAR1 (0.57) SIGMAR1LTA4H
SCHEMBL22769344 0.77 HDAC3 (0.51) SMN1; SMN2SIGMAR1HDAC3HDAC4HDAC1
SCHEMBL23910323 0.76 ALDH1A1 (0.46) SMN1; SMN2SIGMAR1POLBLTA4HPPID
SCHEMBL29428351 0.76 ALDH1A1 (0.46) SMN1; SMN2SIGMAR1POLBLTA4HPPID
SCHEMBL8765739 0.76 LTA4H (0.69) LTA4H
Ethyl 3-Phenylpropanoate SCHEMBL7440447 0.76 TDP1 (0.72) SMN1; SMN2ALOX5TDP1CYP4F2CYP4A11

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3941475-A1 PYRIDAZINONES AND METHODS OF USE THEREOF Goldfinch Bio, Inc. (US) 2022-01-26 EP disclosed
EP-3852533-A1 PYRIDAZINONES AND METHODS OF USE THEREOF Goldfinch Bio, Inc. (US) 2021-07-28 EP disclosed
WO-2020191056-A1 PYRIDAZINONES AND METHODS OF USE THEREOF GOLDFINCH BIO, INC. (US) 2020-09-24 WO disclosed
WO-2020061162-A1 PYRIDAZINONES AND METHODS OF USE THEREOF GOLDFINCH BIO, INC. (US) 2020-03-26 WO disclosed
EP-2970271-A1 P2X7 MODULATORS Janssen Pharmaceutica, N.V. (BE) 2016-01-20 EP disclosed
WO-2014152589-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-25 WO disclosed
EP-2376478-A2 PYRIDYLOXYINDOLES INHIBITORS OF VEGF-R2 AND USE THEREOF FOR TREATMENT OF DISEASE Novartis AG (CH) 2011-10-19 EP disclosed
WO-2010066684-A2 Pyridyloxyindoles Inhibitors of VEGF-R2 and Use Thereof for Treatment of Disease NOVARTIS AG (CH) 2010-06-17 WO disclosed