SCHEMBL3912943

SCHEMBL3912943

CCCC(C)(O)c1ccccc1C(CCC)(c1ccccc1C(C)(O)CCC)c1ccccc1C(C)(O)CCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.38
HSP90AB1 P08238 3/20 0.38
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 2/20 0.35
ALOX12 P18054 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRK1 P41145 1/20 0.33
KCNH2 Q12809 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 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
SCHEMBL10593070 0.85 HSP90AA1 (0.39) HSP90AA1HSP90AB1ALDH1A1TSHRTDP1
SCHEMBL647668 0.78 HSP90AA1 (0.38) HSP90AA1HSP90AB1ALDH1A1TSHRTDP1
SCHEMBL7521100 0.77 GRIN1 (0.34) ALDH1A1TSHRTDP1HTR2AHTR2C
SCHEMBL5831906 0.77 TSHR (0.52) HSP90AA1HSP90AB1ALDH1A1TSHRTDP1
SCHEMBL7574531 0.75 TSHR (0.42) HSP90AA1HSP90AB1ALDH1A1TSHRTDP1
SCHEMBL20481716 0.73 ALDH1A1 (0.35) HSP90AA1HSP90AB1ALDH1A1TSHRTDP1
SCHEMBL10617967 0.71 CYP2C19 (0.46) ALDH1A1GAAALOX12CYP2C19SIGMAR1
SCHEMBL297345 0.71 CYP2C19 (0.46) ALDH1A1GAAALOX12CYP2C19SIGMAR1
SCHEMBL12680688 0.71 ALDH1A1 (0.45) HSP90AA1HSP90AB1ALDH1A1TSHRTDP1
SCHEMBL13654025 0.71 RIPK1 (0.38) HSP90AA1HSP90AB1HTR2CESR1ESR2

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-7521016-B2 Pressurized gas introducing device, and injection molding method for moldings having hollow portion MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2009-04-21 US disclosed
US-20050226954-A1 Pressurized gas introducing device, and injection molding method for moldings having hollow portion MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2005-10-13 US disclosed