SCHEMBL12520102

SCHEMBL12520102

CCC(=O)[C@@H](C)Cc1ccccc1CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.39
GABRB2 P47870 3/20 0.39
TSHR P16473 2/20 0.39
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
APAF1 O14727 1/20 0.38
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 3/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
HDAC4 P56524 2/20 0.36
CYP1A2 P05177 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36

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
SCHEMBL7364355 0.89 CYP4F2 (0.42) GABRA1GABRB2TSHRPOLBMAPT
SCHEMBL28791404 0.85 PPARG (0.42) KDM4EALDH1A1
SCHEMBL903418 0.82 POLB (0.41) GABRA1GABRB2TSHRPOLBMAPT
SCHEMBL8346413 0.82 GABRA1 (0.40) GABRA1GABRB2TSHRPOLBMAPT
SCHEMBL12521604 0.82 GABRA1 (0.40) GABRA1GABRB2TSHRPOLBMAPT
SCHEMBL19734345 0.82 FOLH1 (0.47) TSHRPOLBMAPTKDM4ERECQL
SCHEMBL2827224 0.79 MEN1 (0.51) TSHRPOLBALDH1A1
SCHEMBL13545160 0.78 HPGD (0.54) TSHRALDH1A1CYP1A2
SCHEMBL31112245 0.78 HPGD (0.54) TSHRALDH1A1CYP1A2
SCHEMBL19143283 0.77 GABRA1 (0.43) GABRA1GABRB2TSHRPOLBMAPT

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
WO-2013025490-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASES CERULEAN PHARMA INC. (US) 2013-02-21 WO disclosed
WO-2011090940-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2011-07-28 WO disclosed