SCHEMBL11536608

SCHEMBL11536608

O=C(O)CCCCC(Br)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.59
PPARD Q03181 1/20 0.59
ZDHHC20 Q5W0Z9 1/20 0.59
ZDHHC2 Q9UIJ5 1/20 0.59
LMNA P02545 2/20 0.52
TSHR P16473 2/20 0.50
NFKB1 P19838 2/20 0.50
PMP22 Q01453 1/20 0.50
GSTK1 Q9Y2Q3 2/20 0.48
ENPEP Q07075 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.46
FFAR4 Q5NUL3 2/20 0.45
FFAR1 O14842 2/20 0.45
ALDH1A1 P00352 2/20 0.44
GPR84 Q9NQS5 1/20 0.42
AKR1B1 P15121 1/20 0.42
CYP2D6 P10635 1/20 0.42
FOLH1 Q04609 1/20 0.42

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
SCHEMBL11539998 0.98 PPARD (0.63) LCKPPARDZDHHC20ZDHHC2LMNA
SCHEMBL11534282 0.98 PPARD (0.63) LCKPPARDZDHHC20ZDHHC2LMNA
SCHEMBL11538770 0.98 PPARD (0.63) LCKPPARDZDHHC20ZDHHC2LMNA
SCHEMBL11535630 0.98 PPARD (0.63) LCKPPARDZDHHC20ZDHHC2LMNA
SCHEMBL28978909 0.98 PPARD (0.63) LCKPPARDZDHHC20ZDHHC2LMNA
SCHEMBL11532880 0.98 PPARD (0.63) LCKPPARDZDHHC20ZDHHC2LMNA
SCHEMBL27972860 0.96 PPARD (0.61) LCKPPARDZDHHC20ZDHHC2LMNA
SCHEMBL27970253 0.96 PPARD (0.61) LCKPPARDZDHHC20ZDHHC2LMNA
SCHEMBL27970184 0.96 PPARD (0.61) LCKPPARDZDHHC20ZDHHC2LMNA
SCHEMBL598016 0.93 LCK (0.56) LCKPPARDZDHHC20ZDHHC2LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210289794-A1 COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-09-23 US disclosed
US-4180660-A CONTAINING FORMYL SUBSTITUTED PYRROLE GROUP YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 1979-12-25 US disclosed
US-4148998-A ANTIBIOTICS YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 1979-04-10 US disclosed
US-4122260-A CONTAINING FORMYL SUBSTITUTED PYRROLE, ANTIBIOTICS YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 1978-10-24 US disclosed