SCHEMBL8937014

SCHEMBL8937014

CC(C)(C)Oc1ccc([S+](c2ccc(OC(C)(C)C)cc2)c2ccccc2OCc2ccncc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.41
IKBKB O14920 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
F2 P00734 2/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
MAPT P10636 3/20 0.33
MAPK14 Q16539 2/20 0.33
KCNH2 Q12809 1/20 0.33
GRIN2B Q13224 1/20 0.33
PPARG P37231 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LTA4H P09960 1/20 0.33

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
SCHEMBL8590702 0.98 ABCB1 (0.42) ABCB1IKBKBSMN1; SMN2ALDH1A1LMNA
SCHEMBL8592230 0.98 ABCB1 (0.41) ABCB1IKBKBSMN1; SMN2ALDH1A1LMNA
Trifluoromethanesulfonic Acid SCHEMBL8590513 0.90 ABCB1 (0.34) ABCB1SMN1; SMN2ALDH1A1LMNARXRA
SCHEMBL6423707 0.83 F2 (0.40) SMN1; SMN2NPC1F2MAPK14KCNH2
SCHEMBL6140818 0.76 CA12 (0.42) SMN1; SMN2ALDH1A1LMNANPC1RAB9A
SCHEMBL8920726 0.76 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1LMNAMAPTGRIN2B
SCHEMBL6140297 0.73 LMNA (0.44) SMN1; SMN2ALDH1A1LMNARAB9ARXRA
SCHEMBL6140190 0.73 LMNA (0.44) SMN1; SMN2ALDH1A1LMNARAB9ARXRA
SCHEMBL6140063 0.71 NOS3 (0.38) LMNAF2PPARG
SCHEMBL6140238 0.71 RORC (0.44) SMN1; SMN2ALDH1A1LMNANPC1RAB9A

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-5569784-A FINE PATTERN; PREVENTS POST-EXPOSURE DELAY SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-10-29 US claimed