SCHEMBL28844256

SCHEMBL28844256

CC(C)C(=O)CCCCCCCCC=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
FAAH O00519 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
HIF1A Q16665 1/20 0.38
CES2 O00748 1/20 0.38
GMNN O75496 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
APEX1 P27695 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL3455383 0.98 TSHR (0.41) TSHRFAAHTRPV1HIF1ACES2
SCHEMBL5730957 0.91 HIF1A (0.41) TSHRFAAHTRPV1HIF1ACES2
SCHEMBL26203820 0.83 CES2 (0.48) TSHRFAAHCES2LMNA
SCHEMBL9973396 0.83 CES2 (0.48) TSHRFAAHCES2LMNA
SCHEMBL27056796 0.83 CES2 (0.48) TSHRFAAHCES2LMNA
SCHEMBL26203818 0.83 CES2 (0.48) TSHRFAAHCES2LMNA
SCHEMBL9973392 0.83 CES2 (0.48) TSHRFAAHCES2LMNA
SCHEMBL18751717 0.83 CES2 (0.48) TSHRFAAHCES2LMNA
SCHEMBL9973391 0.83 CES2 (0.48) TSHRFAAHCES2LMNA
SCHEMBL3628993 0.81

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
CN-104292474-B Process to prepare polyester phase inversion latexes 施乐公司 2017-05-24 CN disclosed