SCHEMBL26112291

SCHEMBL26112291

CCCCOC(C)COC(C)COC(C)CO.COC(C)COC(C)COC(C)CO

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
TSHR P16473 1/20 0.32
LPAR6 P43657 2/20 0.32
LPAR1 Q92633 2/20 0.32
LPAR4 Q99677 2/20 0.32
LPAR5 Q9H1C0 2/20 0.32
LPAR2 Q9HBW0 2/20 0.32
LPAR3 Q9UBY5 2/20 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
SCHEMBL27667840 1.00 TDP1 (0.38) TDP1USP2ALDH1A1CNR1CNR2
SCHEMBL28089889 0.97 TDP1 (0.40) TDP1USP2ALDH1A1CNR1CNR2
SCHEMBL27085684 0.93 USP2 (0.42) TDP1USP2ALDH1A1CNR1CNR2
SCHEMBL11133571 0.93 TDP1 (0.42) TDP1USP2ALDH1A1CNR1CNR2
SCHEMBL1901968 0.93 TDP1 (0.42) TDP1USP2ALDH1A1CNR1CNR2
SCHEMBL1900015 0.93 TDP1 (0.42) TDP1USP2ALDH1A1CNR1CNR2
SCHEMBL548999 0.93 TDP1 (0.42) TDP1USP2ALDH1A1CNR1CNR2
SCHEMBL15375 0.93 TDP1 (0.42) TDP1USP2ALDH1A1CNR1CNR2
SCHEMBL1900360 0.93 TDP1 (0.42) TDP1USP2ALDH1A1CNR1CNR2
SCHEMBL10694633 0.93 TDP1 (0.42) TDP1USP2ALDH1A1CNR1CNR2

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-2023181863-A1 COMPOUND, COMPOSITION, SURFACE TREATMENT AGENT, ARTICLE AND METHOD FOR PRODUCING ARTICLE AGC株式会社 2023-09-28 WO disclosed