SCHEMBL6547496

SCHEMBL6547496

C=C(Cc1ccccc1)c1ccc(CCC)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
PLK1 P53350 1/20 0.43
POLB P06746 4/20 0.41
CTDSP1 Q9GZU7 3/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
TMEM97 Q5BJF2 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
LPL P06858 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
HDAC1 Q13547 1/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL6547309 0.95 THRB (0.43) THRBL3MBTL1PLK1POLBCTDSP1
SCHEMBL6546328 0.85 TP53 (0.54) L3MBTL1PLK1POLBKMT2ANPC1
SCHEMBL163962 0.80 MAOA (0.50) L3MBTL1KMT2AMEN1
SCHEMBL6546365 0.79 TP53 (0.50) PLK1POLBRAB9AALDH1A1LPL
SCHEMBL6546970 0.79 KMT2A (0.50) THRBL3MBTL1PLK1POLBCTDSP1
SCHEMBL28555686 0.79 KMT2A (0.50) L3MBTL1POLBKMT2ANPC1RAB9A
SCHEMBL10415435 0.79 THRB (0.53) THRBL3MBTL1PLK1POLBCTDSP1
SCHEMBL12065143 0.79 L3MBTL1 (0.62) THRBL3MBTL1PLK1POLBCTDSP1
Hydrogen Peroxide SCHEMBL3918960 0.78 TDP1 (0.57) SIGMAR1ALDH1A1HPGDHSD17B10TDP1
SCHEMBL11282843 0.77 ALDH1A1 (0.59) KMT2ANPC1RAB9AALDH1A1HDAC1

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
EP-0717098-B1 A refrigerating machine oil and a fluid composition for use in a refrigerating machine NIPPON MITSUBISHI OIL CORP (JP) 2004-01-21 EP disclosed
US-5817251-A AROMATIC HYDROCARBON LUBRICANT NIPPON OIL CO., LTD. (JP) 1998-10-06 US disclosed
US-5711895-A Fluid composition for use in a refrigerating machine in which the refrigerating machine oil is at least one hydrocarbon compound of a formula consisting of two phenyl groups joined through an alkylene or alkenylene group NIPPON OIL CO., LTD. (JP) 1998-01-27 US disclosed
EP-0717098-A2 A refrigerating machine oil and a fluid composition for use in a refrigerating machine NIPPON OIL CO. LTD. (JP) 1996-06-19 EP disclosed