SCHEMBL9108321

SCHEMBL9108321

CC(C)c1cc(C(C)C)c(S(=O)(=O)n2ccnc2)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(S(=O)(=O)n2ccnc2)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(S(=O)(=O)n2ccnc2)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(S(=O)(=O)n2ccnc2)c(C(C)C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 5/20 1.00
ALDH1A1 P00352 2/20 0.48
FABP3 P05413 1/20 0.47
FABP5 Q01469 1/20 0.47
TSHR P16473 1/20 0.46
LMNA P02545 1/20 0.44
HTT P42858 2/20 0.43
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40

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
SCHEMBL840945 1.00 FABP4 (1.00) FABP4ALDH1A1FABP3FABP5TSHR
SCHEMBL9498378 0.73 FABP4 (0.57) FABP4ALDH1A1FABP3FABP5GAA
SCHEMBL5686154 0.73 FABP4 (0.57) FABP4ALDH1A1FABP3FABP5GAA
SCHEMBL841998 0.71 TSHR (0.58) FABP4TSHRLMNAHTTTP53
SCHEMBL1006650 0.71 FABP4 (0.55) FABP4ALDH1A1TSHRLMNAHTT
SCHEMBL5694151 0.70 FABP4 (0.54) FABP4ALDH1A1FABP3FABP5GAA
SCHEMBL8989764 0.68 FABP4 (0.69) FABP4ALDH1A1FABP3FABP5GAA
SCHEMBL23699006 0.68 TSHR (0.58) FABP4ALDH1A1TSHRLMNAHTT
SCHEMBL10718710 0.68 FABP4 (0.51) FABP4ALDH1A1FABP3FABP5GAA
SCHEMBL8243105 0.67 FABP4 (0.67) FABP4ALDH1A1FABP3FABP5GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0527186-A4 UNIV ILLINOIS (US) 1995-01-18 EP disclosed
EP-0527186-A1 PHOTODYNAMIC PLANT DEFOLIANTS AND CHLOROPHYLL BIOSYNTHESIS MODULATORS The Board of Trustees for the University of Illinois (US) 1993-02-17 EP disclosed
WO-1991016820-A1 PHOTODYNAMIC PLANT DEFOLIANTS AND CHLOROPHYLL BIOSYNTHESIS MODULATORS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 1991-11-14 WO disclosed