SCHEMBL6470022

SCHEMBL6470022

CCCCC(CC)CP(=O)(C(=O)c1c(C)cccc1C)C(=O)c1c(C)cccc1C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
CA2 P00918 3/20 0.42
CYP3A4 P08684 3/20 0.42
TSHR P16473 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 2/20 0.40
GLA P06280 1/20 0.40
LMNA P02545 4/20 0.39
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
BCL2L1 Q07817 1/20 0.37
MAPK1 P28482 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
F2R P25116 1/20 0.35

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
SCHEMBL6466082 0.86 ALDH1A1 (0.42) ALDH1A1CA2CYP3A4TSHRL3MBTL1
SCHEMBL6469414 0.86 BCL2L1 (0.39) ALDH1A1CA2CYP3A4TSHRL3MBTL1
SCHEMBL7185599 0.83 ALDH1A1 (0.40) ALDH1A1CA2CYP3A4TSHRL3MBTL1
SCHEMBL6467225 0.77 TSHR (0.41) ALDH1A1TSHRL3MBTL1HTTSMN1; SMN2
SCHEMBL6466068 0.77 TSHR (0.39) ALDH1A1CA2CYP3A4TSHRL3MBTL1
SCHEMBL7188887 0.76 ALDH1A1 (0.37) ALDH1A1CA2CYP3A4TSHRL3MBTL1
SCHEMBL6470382 0.76 CETP (0.42) ALDH1A1TSHRL3MBTL1HTTF2R
SCHEMBL6465877 0.76 L3MBTL1 (0.39) ALDH1A1L3MBTL1HTTLMNAKDM4E
SCHEMBL6465547 0.75 CETP (0.44) ALDH1A1HTTBCL2L1F2R
SCHEMBL6468590 0.75 CETP (0.44) ALDH1A1HTTBCL2L1F2R

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