SCHEMBL1695994

SCHEMBL1695994

Cc1ccc(Cc2ccc(NC(=O)c3ccccc3C(=O)O)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
TDP1 Q9NUW8 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
LMNA P02545 1/20 0.59
TP53 P04637 1/20 0.59
NFKB1 P19838 1/20 0.59
HTT P42858 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
HSD17B10 Q99714 1/20 0.59
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
CYP1A2 P05177 1/20 0.58
GFER P55789 2/20 0.58
GAA P10253 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
FFAR1 O14842 1/20 0.56
MAPT P10636 3/20 0.55

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
SCHEMBL16426269 0.91 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2KMT2AMEN1CYP1A2
SCHEMBL10489953 0.91 ALDH1A1 (0.76) ALDH1A1TDP1SMN1; SMN2NPC1RAB9A
SCHEMBL675754 0.90 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL25918279 0.88 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL23409198 0.85 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2KMT2AMEN1CYP1A2
SCHEMBL12643348 0.84 TDP1 (0.55) ALDH1A1TDP1SMN1; SMN2RAB9AHSD17B10
SCHEMBL7058035 0.84 RAB9A (0.79) ALDH1A1TDP1SMN1; SMN2NPC1RAB9A
SCHEMBL18132553 0.84 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL7829395 0.83 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL27351659 0.83 PLG (0.48) ALDH1A1TDP1SMN1; SMN2NPC1RAB9A

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-8822558-B2 Low density hydrophobic material and method of making the same CASE WESTERN RESERVE UNIVERSITY (US) 2014-09-02 US disclosed
US-20120088855-A1 LOW DENSITY HYDROPHOBIC MATERIAL AND METHOD OF MAKING THE SAME CASE WESTERN RESERVE UNIVERSITY (US) 2012-04-12 US disclosed