SCHEMBL6546384

SCHEMBL6546384

CC(C)(C)c1ccc(C=Cc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.55
TRPV1 Q8NER1 1/20 0.54
RELA Q04206 3/20 0.50
MAOB P27338 2/20 0.50
NR1H2 P55055 1/20 0.50
NR1H3 Q13133 1/20 0.50
TRPA1 O75762 1/20 0.50
NFE2L2 Q16236 1/20 0.50
CYP19A1 P11511 1/20 0.50
MAOA P21397 1/20 0.50
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
CHAT P28329 2/20 0.46
ESRRG P62508 1/20 0.46
HDAC1 Q13547 1/20 0.45
TSHR P16473 1/20 0.44
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL7535089 1.00 CYP1A2 (0.55) CYP1A2TRPV1RELAMAOBNR1H2
SCHEMBL28779440 1.00 CYP1A2 (0.55) CYP1A2TRPV1RELAMAOBNR1H2
SCHEMBL7592145 0.91 MAOB (0.61) CYP1A2TRPV1RELAMAOBNR1H2
SCHEMBL7512833 0.91 MAOB (0.61) CYP1A2TRPV1RELAMAOBNR1H2
SCHEMBL1825729 0.90 CYP1A2 (0.64) CYP1A2TRPV1NR1H2NR1H3POLB
SCHEMBL1825727 0.90 CYP1A2 (0.64) CYP1A2TRPV1NR1H2NR1H3POLB
SCHEMBL14422422 0.88 TRPV1 (0.46) CYP1A2TRPV1RELAMAOBNR1H2
SCHEMBL29145894 0.87 CYP1A2 (0.61) CYP1A2TRPV1NR1H2NR1H3POLB
SCHEMBL12949720 0.87 RELA (0.53) CYP1A2TRPV1RELAMAOBNR1H2
SCHEMBL2748308 0.86 CYP1A2 (0.52) CYP1A2TRPV1RELAMAOBNR1H2

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-20020015906-A1 Polymer for photoresist, method of production thereof and photoresist composition containing polymer SAMSUNG ELECTRONICS CO., LTD. (KR) 2002-02-07 US disclosed
US-5817251-A AROMATIC HYDROCARBON LUBRICANT NIPPON OIL CO., LTD. (JP) 1998-10-06 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