SCHEMBL4328573

SCHEMBL4328573

CC(C)(Cc1ccc(Cl)cc1)C(=O)C(C)(C)Cc1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.55
SLC6A2 P23975 1/20 0.55
HTR2A P28223 1/20 0.55
HRH1 P35367 1/20 0.55
HTR2B P41595 1/20 0.55
CHRNA4 P43681 1/20 0.55
SLC6A3 Q01959 1/20 0.55
CYP2C19 P33261 3/20 0.54
CYP3A4 P08684 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2D6 P10635 1/20 0.54
NFKB1 P19838 1/20 0.54
LMNA P02545 2/20 0.53
PMP22 Q01453 1/20 0.53
NLRP3 Q96P20 1/20 0.53
GRN P28799 1/20 0.51
SORT1 Q99523 1/20 0.51
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46

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
SCHEMBL10383881 0.86 SLC6A4 (0.53) SLC6A4SLC6A2HTR2AHRH1HTR2B
SCHEMBL6469200 0.86 GRN (0.54) SLC6A4SLC6A2HTR2AHRH1HTR2B
SCHEMBL7470435 0.86 SLC6A4 (0.53) SLC6A4SLC6A2HTR2AHRH1HTR2B
SCHEMBL8082304 0.86 SLC6A4 (0.59) SLC6A4SLC6A2HTR2AHRH1HTR2B
SCHEMBL8169646 0.82 SLC6A4 (0.50) SLC6A4SLC6A2HTR2AHRH1HTR2B
SCHEMBL10555661 0.82 SLC6A2 (0.55) SLC6A4SLC6A2HTR2AHRH1HTR2B
SCHEMBL9380085 0.81 SLC6A4 (0.48) SLC6A4SLC6A2HTR2AHRH1HTR2B
SCHEMBL11279619 0.81 PTGES2 (0.53) SLC6A4SLC6A2HTR2AHRH1HTR2B
SCHEMBL6469058 0.81 GRN (0.50) SLC6A4SLC6A2HTR2AHRH1HTR2B
SCHEMBL8161806 0.80 THRA (0.47) SLC6A4SLC6A2HTR2AHRH1HTR2B

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
US-7605222-B2 Gel permeation chromatography; isomeric bis(phthalimide) and bisphenol-a structural units SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2009-10-20 US disclosed
US-20070043203-A1 Gel permeation chromatography; isomeric bis(phthalimide) and bisphenol-a structural units GENERAL ELECTRIC COMPANY (US) 2007-02-22 US disclosed