SCHEMBL9216487

SCHEMBL9216487

C=CC=CC(CCCCCBr)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.31
PPARD Q03181 1/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31

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
SCHEMBL9207985 0.80 CPB2 (0.34)
SCHEMBL9215142 0.78 CPB2 (0.32)
SCHEMBL4452846 0.71 GPR84 (0.37) LCKPPARDZDHHC20ZDHHC2
SCHEMBL8197677 0.70 GAPDH (0.31)
SCHEMBL27960481 0.70 TDP1 (0.37)
SCHEMBL4605968 0.69 KDM4C (0.33)
SCHEMBL9697909 0.68 LCK (0.41) LCKPPARDZDHHC20ZDHHC2
SCHEMBL27861319 0.68 LCK (0.41) LCKPPARDZDHHC20ZDHHC2
SCHEMBL7931050 0.68 LCK (0.41) LCKPPARDZDHHC20ZDHHC2
SCHEMBL19745135 0.68 LCK (0.41) LCKPPARDZDHHC20ZDHHC2

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
EP-0681582-A1 PYRAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF PHARMACIA & UPJOHN COMPANY (US) 1995-11-15 EP disclosed