SCHEMBL5127737

SCHEMBL5127737

CC(C)C(O)CCCC(O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.48
TRPA1 O75762 1/20 0.48
SPHK1 Q9NYA1 2/20 0.40
LMNA P02545 3/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP2D6 P10635 2/20 0.32
GMNN O75496 1/20 0.32
POLB P06746 1/20 0.32
THPO P40225 1/20 0.32
MTOR P42345 1/20 0.32
BLM P54132 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CETP P11597 1/20 0.32
HTT P42858 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
SCHEMBL3761524 0.91 LMNA (0.48) TRPV1TRPA1SPHK1LMNATSHR
SCHEMBL2530316 0.91 TRPV1 (0.42) TRPV1TRPA1SPHK1ALDH1A1TSHR
SCHEMBL31501273 0.90 TRPV1 (0.60) TRPV1TRPA1SPHK1LMNATDP1
SCHEMBL620984 0.85 ALDH1A1 (0.39) TRPV1TRPA1SPHK1LMNAALDH1A1
SCHEMBL5186832 0.85 ALDH1A1 (0.39) TRPV1TRPA1SPHK1LMNAALDH1A1
SCHEMBL620986 0.85 ALDH1A1 (0.39) TRPV1TRPA1SPHK1LMNAALDH1A1
SCHEMBL620985 0.85 ALDH1A1 (0.39) TRPV1TRPA1SPHK1LMNAALDH1A1
SCHEMBL15423494 0.84 TRPV1 (0.48) TRPV1TRPA1SPHK1LMNACYP2D6
SCHEMBL109083 0.84
SCHEMBL8532467 0.84

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
WO-2008055964-A1 METHOD FOR PRODUCING CYCLIC PHOSPHINES OR BIPHOSPHINES, CYCLIC PHOSPHONATES OF OPTICALLY ACTIVE DIOLS, AND THE PRODUCTION OF SAME Rheinisch-Westfälische Technische Hochschule Aachen (DE) 2008-05-15 WO disclosed
WO-2008055963-A1 NOVEL METHOD FOR PRODUCING ORGANIC PHOSPHORUS COMPOUNDS, PHOSPHORUS COMPOUNDS PRODUCED USING SAID METHOD, THE METAL COMPLEXES OF SAID COMPOUNDS, AND USE OF SAME Rheinisch-Westfälische Technische Hochschule Aachen (DE) 2008-05-15 WO disclosed