SCHEMBL6467862

SCHEMBL6467862

CCc1cccc(CC)c1C(=O)P(=O)(C(=O)c1c(CC)cccc1CC)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.47
GABRB2 P47870 3/20 0.47
TSHR P16473 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
PTPN5 P54829 1/20 0.33
HTT P42858 1/20 0.33
CLCN2 P51788 1/20 0.33
RIPK1 Q13546 1/20 0.32
KCNK3 O14649 1/20 0.32
KCNK9 Q9NPC2 1/20 0.32
BID P55957 3/20 0.32
MCL1 Q07820 3/20 0.32
BCL2L1 Q07817 2/20 0.32
BAK1 Q16611 2/20 0.32

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
SCHEMBL6469787 0.84 HSPA5 (0.39) POLBMEN1GAAKMT2A
SCHEMBL6470322 0.77 HPGD (0.38) GABRA1GABRB2TSHRALDH1A1KDM4E
SCHEMBL5811174 0.74 GABRA1 (0.42) GABRA1GABRB2TSHRALDH1A1POLB
SCHEMBL6470357 0.73 GABRA1 (0.41) GABRA1GABRB2TSHRALDH1A1POLB
SCHEMBL6467036 0.72 GABRA1 (0.37) GABRA1GABRB2ALDH1A1KDM4E
SCHEMBL6467280 0.71 GABRA1 (0.39) GABRA1GABRB2ALDH1A1KDM4EPOLB
SCHEMBL6470429 0.71 GABRA1 (0.39) GABRA1GABRB2ALDH1A1KDM4EPOLB
SCHEMBL6470195 0.71 TSHR (0.45) GABRA1GABRB2TSHRALDH1A1POLB
SCHEMBL11750664 0.71 GABRA1 (0.56) GABRA1GABRB2TSHRALDH1A1CLCN2
SCHEMBL5994046 0.71 GABRA1 (0.36) GABRA1GABRB2TSHRALDH1A1KDM4E

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
US-20050096406-A1 Reactive diluents and alkyd resin coating compositions PRETOT ROGER (CH) 2005-05-05 US disclosed
US-5534559-A UNSATURATED POLYESTERS CIBA-GEIGY CORPORATION (US) 1996-07-09 US disclosed