SCHEMBL4338325

SCHEMBL4338325

CCc1ccc2c(c1)[CH]c1cc(C)ccc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TRPA1 O75762 1/20 0.38
CYP1A2 P05177 2/20 0.36
CYP2A6 P11509 2/20 0.36
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TP53 P04637 2/20 0.33
POLB P06746 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 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
SCHEMBL2035849 0.89 ALDH1A1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL715113 0.82 CYP2A6 (0.43) SMN1; SMN2ALDH1A1LMNAMAPTTRPA1
SCHEMBL27725019 0.82 ALDH1A1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL27845465 0.80 CYP2A6 (0.41) SMN1; SMN2ALDH1A1LMNAMAPTTRPA1
SCHEMBL28265784 0.80 CYP2A6 (0.41) SMN1; SMN2ALDH1A1LMNAMAPTTRPA1
SCHEMBL27871372 0.80 CYP2A6 (0.41) SMN1; SMN2ALDH1A1LMNAMAPTTRPA1
SCHEMBL3065370 0.80 ALDH1A1 (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL27383384 0.74 ALDH1A1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL27378068 0.74 MAOA (0.37) SMN1; SMN2ALDH1A1MAPTTRPA1CYP1A2
SCHEMBL27502031 0.74 MAOA (0.37) SMN1; SMN2ALDH1A1LMNAMAPTTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592403-B2 Ethylene polymer, preparation process thereof and molded articles of the same MITSUI CHEMICALS, INC. (JP) 2009-09-22 US disclosed
US-20050267273-A1 Ethylene polymer, preparation process thereof and molded articles of the same MITSUI CHEMICALS, INC. 2005-12-01 US disclosed
EP-1231229-A2 Ethylene polymer, preparation process thereof and molded articles of the same Mitsui Chemicals, Inc. (JP) 2002-08-14 EP disclosed
US-20020107343-A1 Ethylene polymer, preparation process thereof and molded articles of the same MITSUI CHEMICALS, INC. 2002-08-08 US disclosed