Sugi Predict

Sugi Predict / Compounds / SCHEMBL8009753

SCHEMBL8009753

SCHEMBL8009753

C=CCCCCCOBOCCCC

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.58
▸ ALDH1A1 P00352 2/20 0.50
▸ LPAR3 Q9UBY5 5/20 0.40
▸ LPAR2 Q9HBW0 4/20 0.40
▸ LMNA P02545 1/20 0.36
▸ PLA2G2C Q5R387 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ LPAR1 Q92633 2/20 0.33

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
SCHEMBL3117264 0.81 TSHR (0.65) TSHRALDH1A1LPAR3LPAR2LMNA
SCHEMBL18511794 0.81 TSHR (0.65) TSHRALDH1A1LPAR3LPAR2LMNA
SCHEMBL3118005 0.81 TSHR (0.65) TSHRALDH1A1LPAR3LPAR2LMNA
SCHEMBL3120764 0.81 TSHR (0.65) TSHRALDH1A1LPAR3LPAR2LMNA
SCHEMBL3110047 0.81 TSHR (0.65) TSHRALDH1A1LPAR3LPAR2LMNA
SCHEMBL12354884 0.81 TSHR (0.65) TSHRALDH1A1LPAR3LPAR2LMNA
SCHEMBL3115296 0.81 TSHR (0.65) TSHRALDH1A1LPAR3LPAR2LMNA
SCHEMBL1580938 0.80 TSHR (0.39) TSHRALDH1A1LPAR3LPAR2LMNA
SCHEMBL22991005 0.79 LPAR2 (0.52) LPAR3LPAR2LPAR1
SCHEMBL13211867 0.79 TSHR (0.39) TSHRALDH1A1LPAR3LPAR2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000020425-A1 SILANES AND POLYORGANOSILOXANES WITH BORONATE FUNCTION(S) RHODIA CHIMIE (FR) 2000-04-13 — — WO disclosed