SCHEMBL27754149

SCHEMBL27754149

CCCC(C)(O)Cc1cc2cc(CN3CCOCC3)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 9/20 0.42
CDK7 P50613 6/20 0.42
NR3C1 P04150 4/20 0.39
CYP3A4 P08684 4/20 0.39
FGFR1 P11362 2/20 0.39
SRC P12931 2/20 0.39
FGFR2 P21802 2/20 0.39
FGFR4 P22455 2/20 0.39
FGFR3 P22607 2/20 0.39
KDR P35968 2/20 0.39
PARP1 P09874 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL5917615 0.77 HRH3 (0.52) CHEK1CDK7PARP1HPGDHRH3
SCHEMBL4571045 0.77 NR3C1 (0.54) NR3C1CYP3A4
SCHEMBL6384914 0.76 NR3C1 (0.56) NR3C1CYP3A4
SCHEMBL291539 0.75 NR3C1 (0.68) NR3C1CYP3A4
SCHEMBL5798281 0.75 NR3C1 (0.49) NR3C1CYP3A4
SCHEMBL14319802 0.74 EGFR (0.52) CHEK1CDK7FGFR1SRCFGFR2
SCHEMBL5801704 0.73 NR3C1 (0.60) NR3C1CYP3A4
SCHEMBL5823680 0.73 HRH4 (0.41) CHEK1HPGDHRH3
SCHEMBL6383334 0.72 NR3C1 (0.64) NR3C1CYP3A4
SCHEMBL14286600 0.71 CHEK1 (0.47) CHEK1CDK7PARP1SMN1; SMN2HTT

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
CN-101522187-A Compositions and methods for treating, reducing, ameliorating, or alleviating posterior-segment ophthalmic diseases BAUSCH & LOMB (US) 2009-09-02 CN disclosed
CN-101522196-A Treatment of infections and their sequelae with combined isolated glucocorticoid receptor agonists and anti-infective agents BAUSCH & LOMB (US) 2009-09-02 CN disclosed