SCHEMBL4742633

SCHEMBL4742633

OCCOCCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
IGF1R P08069 1/20 0.47
ALOX15 P16050 1/20 0.47
SIGMAR1 Q99720 11/20 0.44
IDO1 P14902 3/20 0.44
KCNH2 Q12809 1/20 0.42
CYP1A2 P05177 2/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
PYGL P06737 1/20 0.41
CYP2D6 P10635 1/20 0.40
TMEM97 Q5BJF2 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
SCHEMBL11704203 0.84 IDO1 (0.52) PNMTTAAR1IGF1RALOX15IDO1
SCHEMBL1179916 0.83 IDO1 (0.55) PNMTTAAR1IGF1RALOX15IDO1
SCHEMBL14101048 0.81 PNMT (0.50) PNMTTAAR1IGF1RALOX15SIGMAR1
SCHEMBL908524 0.80 PNMT (0.61) PNMTTAAR1IGF1RALOX15SIGMAR1
SCHEMBL3589323 0.80 FFAR1 (0.51) PNMTTAAR1IGF1RALOX15SIGMAR1
SCHEMBL3169926 0.79 TAAR1 (0.45) TAAR1IGF1RALOX15SIGMAR1IDO1
SCHEMBL4741469 0.77 FFAR1 (0.49) PNMTTAAR1IGF1RALOX15SIGMAR1
SCHEMBL3173873 0.76 TAAR1 (0.52) PNMTTAAR1IDO1MEN1ALDH1A1
SCHEMBL81497 0.76 IGF1R (0.63) PNMTTAAR1IGF1RALOX15SIGMAR1
SCHEMBL16771200 0.75 PNMT (0.55) PNMTTAAR1IGF1RALOX15SIGMAR1

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
WO-2008096093-A1 OXAZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LTD. (GB) 2008-08-14 WO disclosed
WO-2008096093-A1 OXAZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LTD. (GB) 2008-08-14 WO disclosed