Sugi Predict

Sugi Predict / Compounds / SCHEMBL9700826

SCHEMBL9700826

SCHEMBL9700826

C=CCCCP(=O)(Cl)OCC

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ LPAR3 Q9UBY5 2/20 0.39
▸ LPAR2 Q9HBW0 1/20 0.39
▸ TSHR P16473 5/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ AOX1 Q06278 1/20 0.33
▸ PPARD Q03181 2/20 0.32
▸ LMNA P02545 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
SCHEMBL9701956 0.94 LPAR3 (0.42) TP53TDP1LPAR3LPAR2TSHR
SCHEMBL9701979 0.93 LPAR3 (0.44) TP53TDP1LPAR3LPAR2TSHR
SCHEMBL13239564 0.93 LPAR3 (0.44) TP53TDP1LPAR3LPAR2TSHR
SCHEMBL9700834 0.88 TDP1 (0.44) TP53TDP1LPAR3LPAR2TSHR
SCHEMBL2957697 0.80 PPARD (0.48) TP53TDP1LPAR3LPAR2TSHR
SCHEMBL9698688 0.77 TP53 (0.50) TP53TDP1LPAR3LPAR2TSHR
SCHEMBL9700821 0.77 PPARD (0.53) LPAR3LPAR2TSHRALDH1A1PPARD
SCHEMBL1219734 0.74 PPARD (0.47) TDP1LPAR3LPAR2TSHRALDH1A1
SCHEMBL8656173 0.74 TDP1 (0.46) TP53TDP1TSHRALDH1A1PPARD
SCHEMBL9697844 0.74 LPAR3 (0.46) TP53TDP1LPAR3LPAR2

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
EP-0478292-A1 Heterocyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1992-04-01 — — EP disclosed