SCHEMBL7931050

SCHEMBL7931050

O=C(O)C(CCCCCCCCBr)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.41
PPARD Q03181 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
TBXAS1 P24557 1/20 0.39
GPR84 Q9NQS5 3/20 0.38
FFAR1 O14842 1/20 0.38
MAPT P10636 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
GSR P00390 1/20 0.34
ENPEP Q07075 1/20 0.34
CPB2 Q96IY4 2/20 0.34
ACE2 Q9BYF1 1/20 0.34
RNPEP Q9H4A4 1/20 0.33
FOLH1 Q04609 1/20 0.33
THRB P10828 1/20 0.32
RECQL P46063 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
SCHEMBL19745135 1.00 LCK (0.41) LCKPPARDZDHHC20ZDHHC2TBXAS1
SCHEMBL9697909 1.00 LCK (0.41) LCKPPARDZDHHC20ZDHHC2TBXAS1
SCHEMBL27861319 1.00 LCK (0.41) LCKPPARDZDHHC20ZDHHC2TBXAS1
SCHEMBL6828014 0.97 LCK (0.38) LCKPPARDZDHHC20ZDHHC2TBXAS1
SCHEMBL27889470 0.89 ALDH1A1 (0.39) LCKPPARDZDHHC20ZDHHC2TBXAS1
SCHEMBL30018584 0.86 GPR84 (0.46) LCKPPARDZDHHC20ZDHHC2TBXAS1
SCHEMBL30018402 0.86 GPR84 (0.46) LCKPPARDZDHHC20ZDHHC2TBXAS1
SCHEMBL21073899 0.86 GPR84 (0.46) LCKPPARDZDHHC20ZDHHC2TBXAS1
SCHEMBL3613866 0.86 GPR84 (0.46) LCKPPARDZDHHC20ZDHHC2TBXAS1
SCHEMBL9009694 0.86 GPR84 (0.46) LCKPPARDZDHHC20ZDHHC2TBXAS1

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-6175024-B1 FUNCTIONALIZING A CARBOXYLIC ACID OR ESTER HAVING A VINYL GROUP BY OZONOLYSIS OF THE VINYL GROUP, REDUCING OZONIDE AND FUNCTIONALIZING TO FORM A HALIDE, SULFONATE, ETHER, HYDROXYL, AMINE OR ALDEHYDE; ETHYL 10-BROMO-DECANOATE FOR EXAMPLE ALLIEDSIGNAL INC. 2001-01-16 US disclosed
WO-2000051960-A1 SYNTHESIS OF FUNCTIONALIZED ESTERS HONEYWELL INTERNATIONAL INC. (US) 2000-09-08 WO disclosed