SCHEMBL7444913

SCHEMBL7444913

CC(C)(C)OC(=O)C(Cc1cccc2ccccc12)N1CCC(N2CCN(c3ccc(C#N)cc3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.46
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HIF1A Q16665 1/20 0.41
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
GFER P55789 1/20 0.36
LMNA P02545 1/20 0.36
ACHE P22303 1/20 0.35
CALCA P06881 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
PARP1 P09874 2/20 0.34
PARP2 Q9UGN5 2/20 0.34

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
SCHEMBL7444753 0.87 KDM4E (0.40) ESR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL7441230 0.76 KDM4E (0.45) KDM4EALDH1A1MEN1KMT2AHIF1A
SCHEMBL7440112 0.76 ESR1 (0.40) ESR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL7548362 0.76 KDM4E (0.41) ESR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL7431827 0.75 KMT2A (0.40) ESR1KDM4EMEN1KMT2ACTSS
SCHEMBL7448790 0.74 ITGB3 (0.55) KDM4EALDH1A1MEN1KMT2AHIF1A
SCHEMBL7435155 0.73 CTSS (0.42) KDM4EALDH1A1MEN1KMT2ACTSS
SCHEMBL7443501 0.73 LMNA (0.46) KDM4EALDH1A1CYP2C9CYP2C19L3MBTL1
SCHEMBL7440133 0.73 ESR1 (0.39) ESR1MEN1KMT2ACTSSCTSK
SCHEMBL7435316 0.73 GPR119 (0.57) ALDH1A1LMNAIRAK4

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-0623120-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1994-11-09 EP disclosed
WO-1993014077-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1993-07-22 WO disclosed