Sugi Predict

Sugi Predict / Compounds / SCHEMBL10150735

SCHEMBL10150735

SCHEMBL10150735

C=C[C@H](OCCCC)[C@H](O)CC

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ATM Q13315 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL10107898 1.00 TSHR (0.37) TSHRHPGDATMALDH1A1CNR1
SCHEMBL1357811 0.82 TSHR (0.38) TSHRHPGDATMALDH1A1CNR1
SCHEMBL28354055 0.81 ALDH1A1 (0.42) ALDH1A1CNR1CNR2CYP3A4
SCHEMBL15861024 0.79 HPGD (0.36) TSHRHPGDATMALDH1A1CNR1
SCHEMBL12299205 0.78 TSHR (0.34) TSHRHPGDALDH1A1
SCHEMBL13642260 0.77 SGPL1 (0.30) TSHRHPGD
SCHEMBL13456484 0.77 SGPL1 (0.30) TSHRHPGD
SCHEMBL13644235 0.77 SGPL1 (0.30) TSHRHPGD
SCHEMBL10149912 0.77 HPGD (0.33) TSHRHPGD
SCHEMBL15003146 0.76 HPGD (0.32) TSHRHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011044498-A9 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-02-09 — — WO disclosed
WO-2011044498-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-04-14 — — WO disclosed
WO-2010132765-A2 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-11-18 — — WO disclosed