SCHEMBL8862997

SCHEMBL8862997

CC(C)(C)COC(=O)COCCOCCOCC(=O)OCC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 3/20 0.31
TSHR P16473 3/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
HSD17B10 Q99714 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.30
MIF P14174 1/20 0.30
CYP2C19 P33261 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
SCHEMBL7647166 0.92 TDP1 (0.33) TDP1TSHR
SCHEMBL8862969 0.90 TDP1 (0.34) TDP1TSHR
SCHEMBL14296185 0.88 CES2 (0.35) TDP1ALDH1A1HSD17B10
SCHEMBL14296184 0.86 TDP1 (0.34) TDP1
SCHEMBL17787811 0.83 KMT2A (0.30) TDP1KMT2AMIFCYP2C19
SCHEMBL12092374 0.76 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL12092358 0.76 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL16018406 0.76 TDP1 (0.33) TDP1
SCHEMBL20317398 0.75 APLNR (0.32)
SCHEMBL21015356 0.75 TDP1 (0.32) TDP1CYP2C19

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
US-5700316-A COMPRISED OF COLORANT AND VEHICLE OF POLY(ALKYLENE OXIDE) ALKYLATE OR DIALKYLATE OR POLYOXA-ALKANOIC ESTER OR DIESTER XEROX CORPORATION (US) 1997-12-23 US claimed
US-5700316-A COMPRISED OF COLORANT AND VEHICLE OF POLY(ALKYLENE OXIDE) ALKYLATE OR DIALKYLATE OR POLYOXA-ALKANOIC ESTER OR DIESTER XEROX CORPORATION (US) 1997-12-23 US disclosed