SCHEMBL6695436

SCHEMBL6695436

CC(C)(C)c1ccc2c(c1)-c1ccccc1C2C(C1=CC=CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PLA2G1B P04054 1/20 0.35
NFKB1 P19838 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
CYP19A1 P11511 1/20 0.32

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
SCHEMBL5006653 0.96 NPC1 (0.35) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL645973 0.89 ALDH1A1 (0.35) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL5174322 0.88 MAPT (0.33)
SCHEMBL18261167 0.86 TSHR (0.36)
Hydrochloric Acid SCHEMBL7195300 0.86 MAPT (0.31)
SCHEMBL18315289 0.85 TP53 (0.30)
SCHEMBL6693821 0.85 NPC1 (0.31) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL18261178 0.83 ALDH1A1 (0.37) NPC1ALDH1A1RAB9AL3MBTL1
SCHEMBL18261191 0.83 ALDH1A1 (0.32) ALDH1A1
Hydrochloric Acid SCHEMBL7939283 0.82

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-20040030051-A1 Polypropylene having low isotacticity and relatively high melting point BASELL POLYPROPYLEN GMBH (DE) 2004-02-12 US disclosed
WO-2002038634-A2 POLYPROPYLENE HAVING LOW ISOTACTICITY AND RELATIVELY HIGH MELTING POINT BASELL POLYOLEFINE GMBH (DE) 2002-05-16 WO disclosed