SCHEMBL1959327

SCHEMBL1959327

CC(C)(C)OC(=O)N1CCC(C)(C(=O)O)CC1.CC1(NC(=O)OCc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
BACE1 P56817 1/20 0.44
TACR1 P25103 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
STS P08842 1/20 0.43
P2RX7 Q99572 6/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
ANO1 Q5XXA6 1/20 0.42
YAP1 P46937 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL551650 0.95 MEN1 (0.48) MEN1KMT2ABACE1TACR1OPRD1
SCHEMBL15878183 0.89 MEN1 (0.44) MEN1KMT2ABACE1TACR1OPRD1
SCHEMBL15797644 0.89 MEN1 (0.44) MEN1KMT2ABACE1TACR1OPRD1
SCHEMBL15796942 0.89 MEN1 (0.44) MEN1KMT2ABACE1TACR1OPRD1
SCHEMBL7507956 0.86 MEN1 (0.49) MEN1KMT2ATACR1OPRD1OPRK1
SCHEMBL2206561 0.85 MEN1 (0.47) MEN1KMT2ABACE1TACR1OPRD1
SCHEMBL3104656 0.82 MEN1 (0.50) MEN1KMT2ATACR1OPRD1OPRK1
SCHEMBL14638218 0.82 MEN1 (0.43) MEN1KMT2ABACE1STSP2RX7
SCHEMBL14650130 0.82 MEN1 (0.43) MEN1KMT2ABACE1STSP2RX7
SCHEMBL21009793 0.82 MEN1 (0.46) MEN1KMT2ABACE1TACR1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507211-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2012-10-10 EP disclosed
EP-2376197-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2011-10-19 EP disclosed
WO-2011068560-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-06-09 WO disclosed
WO-2010065824-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-10 WO disclosed