Sugi Predict

Sugi Predict / Compounds / SCHEMBL1668960

SCHEMBL1668960

SCHEMBL1668960

OC1CCCCCCC1(O)C1(O)CCCC1O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP2C19 P33261 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.31
▸ MET P08581 1/20 0.31
▸ HSD11B1 P28845 1/20 0.30

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
SCHEMBL7270945 0.94 TSHR (0.37) ALDH1A1TSHRLMNACYP2C19HSD17B10
SCHEMBL28167836 0.79 HSD17B10 (0.31) HSD17B10
SCHEMBL7941174 0.79 TSHR (0.38) ALDH1A1TSHR
SCHEMBL1593646 0.78 ALDH1A1 (0.36) ALDH1A1TSHRCYP2C19HSD17B10MET
SCHEMBL1985936 0.75 TSHR (0.35) TSHR
SCHEMBL8744451 0.75 TSHR (0.39) ALDH1A1TSHR
SCHEMBL537100 0.74 ALDH1A1 (0.32) ALDH1A1
SCHEMBL670841 0.74 TSHR (0.35) ALDH1A1TSHRLMNAHSD17B10
SCHEMBL22447816 0.74 TSHR (0.35) ALDH1A1TSHRHSD11B1
SCHEMBL20869320 0.74 TSHR (0.35) ALDH1A1TSHRHSD11B1

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-2012154213-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2012-11-15 — — WO disclosed
EP-2485678-A1 COFERONS AND METHODS OF MAKING AND USING THEM Cornell University (US) 2012-08-15 — — EP disclosed
WO-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 — — WO disclosed