SCHEMBL3328605

SCHEMBL3328605

CCCCCCCCSc1nc(Nc2cc(CCCC)c(O)c(CCCC)c2)nc(Nc2cc(CCCC)c(O)c(CCCC)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 5/20 0.37
▸ PTGS2 P35354 3/20 0.37
▸ GPR84 Q9NQS5 7/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ LMNA P02545 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ALPL P05186 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ TYR P14679 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL1925518 0.97 GPR84 (0.37) ALOX5PTGS2GPR84SMN1; SMN2LMNA
SCHEMBL20533612 0.85 PTGS1 (0.31) PTGS2
SCHEMBL10015711 0.84 SMN1; SMN2 (0.38) GPR84SMN1; SMN2LMNANPC1MAPK1
SCHEMBL2586866 0.84 CCNE1 (0.37) ALOX5GPR84SMN1; SMN2LMNANPC1
SCHEMBL2211671 0.82 GPR84 (0.39) GPR84SMN1; SMN2LMNANPC1MAPK1
SCHEMBL39372 0.81 PTGS1 (0.38) PTGS2GPR84SMN1; SMN2LMNANPC1
SCHEMBL11250028 0.81 GPR84 (0.37) GPR84SMN1; SMN2LMNANPC1MAPK1
SCHEMBL9120614 0.81 PTGS1 (0.37) PTGS2GPR84SMN1; SMN2LMNANPC1
SCHEMBL29384784 0.81 CCNE1 (0.32) PTGS2GPR84SMN1; SMN2LMNANPC1
SCHEMBL22413381 0.80 PTGS2 (0.35) PTGS2GPR84SMN1; SMN2LMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137578-A1 CELLULOSE ESTER FILM FOR OPTICAL USE, AND POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY USING SUCH CELLULOSE ESTER FILM FOR OPTICAL USE KONICA MINOLTA OPTO, INC. (JP) 2010-06-03 — — US disclosed
Send feedback