SCHEMBL28258262

SCHEMBL28258262

[CH2]CCC(CCCC)(CCCC)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.38
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
KCNN4 O15554 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
EBP Q15125 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2D6 P10635 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
PCSK9 Q8NBP7 1/20 0.32
LTA4H P09960 1/20 0.32
TAAR1 Q96RJ0 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
SCHEMBL6560515 0.90 KIF11 (0.42) KIF11ESR1ESR2KCNN4SIGMAR1
SCHEMBL27956680 0.88 KIF11 (0.40) KIF11ESR1ESR2KCNN4SIGMAR1
SCHEMBL9447607 0.86 KIF11 (0.41) KIF11ESR1ESR2KCNN4SIGMAR1
SCHEMBL5425018 0.84 SIGMAR1 (0.41) KIF11ESR1ESR2SIGMAR1EBP
SCHEMBL5180404 0.84 SIGMAR1 (0.42) KIF11KCNN4SIGMAR1EBPMEN1
SCHEMBL25298896 0.82 KIF11 (0.41) KIF11ESR1ESR2KCNN4SIGMAR1
SCHEMBL11332829 0.82 SIGMAR1 (0.42) KCNN4SIGMAR1EBPMEN1KMT2A
SCHEMBL7773736 0.82 SIGMAR1 (0.42) KCNN4SIGMAR1EBPMEN1KMT2A
SCHEMBL5421959 0.80 SIGMAR1 (0.40) KIF11KCNN4SIGMAR1EBPMEN1
SCHEMBL28722335 0.79 CYP2C19 (0.40) KIF11ESR1ESR2KCNN4SIGMAR1

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-105764885-B The production method of acid and free-radical generating agent and acid and free radical 富士胶片和光纯药株式会社 2018-11-09 CN disclosed