SCHEMBL3658634

SCHEMBL3658634

Cc1cccc(C(C)(C)CC(O)C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CETP P11597 9/20 0.47
PTPN5 P54829 1/20 0.38
KIF11 P52732 5/20 0.37
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KCNH2 Q12809 1/20 0.36
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
ACHE P22303 1/20 0.34

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
SCHEMBL3680226 0.84 CETP (0.46) CETP
SCHEMBL4477002 0.83 CA1 (0.41) CETPKIF11MEN1KMT2A
SCHEMBL5780758 0.81 TAAR1 (0.45) CETPCYP3A4CYP2C9CYP2C19MEN1
SCHEMBL19642634 0.73 CETP (0.43) CETPPTPN5KIF11LMNACYP3A4
SCHEMBL1698139 0.73 CNR1 (0.50) PTPN5KIF11LMNACYP3A4CYP2D6
SCHEMBL7039820 0.73 ACHE (0.44) PTPN5KIF11LMNACYP3A4CYP2D6
SCHEMBL15120099 0.73 CETP (0.50) CETPKIF11
SCHEMBL15678394 0.73 KIF11 (0.36) PTPN5KIF11LMNACYP3A4CYP2D6
SCHEMBL3948021 0.73 HSD11B1 (0.37)
SCHEMBL24342189 0.72 PTPN5 (0.44) CETPPTPN5KIF11LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203160-A1 PHARMACOLOGICAL ADJUNCTIVE TREATMENT ASSOCIATED WITH GLAUCOMA FILTRATION SURGERY Bausch & Lomb Incorporated (US) 2010-07-07 EP disclosed
EP-2190431-A2 COMPOSITIONS COMPRISING A DISSOCIATED GLUCOCORTICOID RECEPTOR AGONIST FOR TREATING OR CONTROLLING ANTERIOR-SEGMENT INFLAMMATION Bausch & Lomb Incorporated (US) 2010-06-02 EP disclosed
EP-2051736-A2 COMPOSITIONS COMPRISING A DISSOCIATED GLUCOCORTICOID RECEPTOR AGONIST AND AN IMMUNOSUPPRESSIVE AGENT FOR TREATING DRY EYE Bausch & Lomb Incorporated (US) 2009-04-29 EP disclosed
WO-2009042377-A1 PHARMACOLOGICAL ADJUNCTIVE TREATMENT ASSOCIATED WITH GLAUCOMA FILTRATION SURGERY BAUSCH & LOMB INCORPORATED (US) 2009-04-02 WO disclosed
WO-2009023471-A2 COMPOSITIONS COMPRISING A DISSOCIATED GLUCOCORTICOID RECEPTOR AGONIST FOR TREATING OR CONTROLLING ANTERIOR-SEGMENT INFLAMMATION BAUSCH & LOMB INCORPORATED (US) 2009-02-19 WO disclosed
WO-2008005686-A2 COMPOSITIONS COMPRISING A DISSOCIATED GLUCOCORTICOID RECEPTOR AGONIST AND AN IMMUNOSUPPRESSIVE AGENT FOR TREATING DRY EYE BAUSCH & LOMB INCORPORATED (US) 2008-01-10 WO disclosed