SCHEMBL7702905

SCHEMBL7702905

CC(C)(C)c1ccc(-c2[c]cccc2-c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DGAT1 O75907 2/20 0.37
S1PR1 P21453 1/20 0.36
TSHR P16473 1/20 0.35
TYR P14679 1/20 0.34
ALDH1A1 P00352 2/20 0.34
PLA2G1B P04054 1/20 0.34
NFKB1 P19838 1/20 0.34
CASP3 P42574 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL8529551 0.95 KIF11 (0.38) KIF11NPC1RAB9ALMNATP53
SCHEMBL2406494 0.80 KMT2A (0.42) KIF11NPC1RAB9ALMNATP53
SCHEMBL7705609 0.79 MEN1 (0.33) NPC1RAB9ALMNATP53SMN1; SMN2
SCHEMBL5782733 0.77 MAPT (0.40) KIF11NPC1RAB9ALMNATP53
SCHEMBL6397214 0.77 KIF11 (0.35) KIF11NPC1RAB9ALMNATP53
SCHEMBL7708640 0.77 PPARG (0.35) KIF11
SCHEMBL4621655 0.76 ALDH1A1 (0.39) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL8065385 0.76 KIF11 (0.47) KIF11NPC1RAB9ALMNATP53
SCHEMBL185890 0.76 ALDH1A1 (0.41) ALDH1A1CASP3SENP8SENP7SENP6
SCHEMBL1901590 0.75 ALDH1A1 (0.41) KIF11NPC1RAB9ATSHRALDH1A1

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-6358665-B1 ONIUM SALT PRECURSOR FOR GENERATING FLUOROALKYLSULFONATE CLARIANT INTERNATIONAL LTD. (CH) 2002-03-19 US disclosed
EP-1033624-A1 RADIATION-SENSITIVE COMPOSITION OF CHEMICAL AMPLIFICATION TYPE Clariant International Ltd. (CH) 2000-09-06 EP disclosed