SCHEMBL1865643

SCHEMBL1865643

OC1CCC(CCOCc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
PDE4D Q08499 1/20 0.45
AGTR2 P50052 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GBA1 P04062 2/20 0.42
UGCG Q16739 2/20 0.42
GBA2 Q9HCG7 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39

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
SCHEMBL12982403 0.91 TSHR (0.54) TSHRPDE4DAGTR2MEN1KMT2A
SCHEMBL15778263 0.87 PDE4D (0.48) TSHRPDE4DAGTR2MEN1KMT2A
SCHEMBL15778264 0.87 PDE4D (0.48) TSHRPDE4DAGTR2MEN1KMT2A
SCHEMBL13096759 0.86 MEN1 (0.49) TSHRAGTR2MEN1KMT2AGBA1
SCHEMBL600068 0.85 PDE4D (0.49) TSHRPDE4DAGTR2GBA1UGCG
SCHEMBL599768 0.85 PDE4D (0.49) TSHRPDE4DAGTR2GBA1UGCG
SCHEMBL599769 0.85 PDE4D (0.49) TSHRPDE4DAGTR2GBA1UGCG
SCHEMBL6647671 0.84 TSHR (0.50) TSHRPDE4DAGTR2MEN1KMT2A
SCHEMBL18950906 0.84 TSHR (0.50) TSHRPDE4DAGTR2MEN1KMT2A
SCHEMBL23326988 0.83 TSHR (0.45) TSHRPDE4DAGTR2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435432-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2012-04-04 EP disclosed
WO-2010138588-A9 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-05-05 WO disclosed
WO-2010138588-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed