SCHEMBL903418

SCHEMBL903418

CCc1ccccc1C[C@H](C)C(=O)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GABRA1 P14867 3/20 0.40
GABRB2 P47870 3/20 0.40
TSHR P16473 2/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
APAF1 O14727 1/20 0.39
RECQL P46063 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
HDAC4 P56524 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL12521604 0.84 GABRA1 (0.40) POLBALDH1A1GABRA1GABRB2TSHR
SCHEMBL8346413 0.84 GABRA1 (0.40) POLBALDH1A1GABRA1GABRB2TSHR
SCHEMBL27851029 0.82 PPARG (0.44) ALDH1A1KDM4EKMT2A
SCHEMBL12520102 0.82 GABRA1 (0.39) POLBALDH1A1GABRA1GABRB2TSHR
SCHEMBL19143283 0.78 GABRA1 (0.43) POLBALDH1A1GABRA1GABRB2TSHR
SCHEMBL12880104 0.78 HPGD (0.56) POLBALDH1A1TSHRSLC6A2SLC6A4
SCHEMBL2625209 0.78 HPGD (0.56) POLBALDH1A1TSHRSLC6A2SLC6A4
SCHEMBL13692275 0.77 GABRA1 (0.44) POLBALDH1A1GABRA1GABRB2L3MBTL1
SCHEMBL8520662 0.77 APAF1 (0.59) POLBTSHRMAPTKDM4EAPAF1
SCHEMBL3459705 0.77 GABRA1 (0.44) POLBALDH1A1GABRA1GABRB2L3MBTL1

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-2012044832-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS FETZER OLIVER S (US) 2012-04-05 WO disclosed
WO-2011146638-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASES CERULEAN PHARMA INC. (US) 2011-11-24 WO disclosed