SCHEMBL6548332

SCHEMBL6548332

Cc1ccc(-c2cccc3ccccc23)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.54
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
CA9 Q16790 3/20 0.54
MAOA P21397 2/20 0.53
MAOB P27338 1/20 0.53
CYP2A6 P11509 5/20 0.52
CYP1A2 P05177 5/20 0.52
ALDH1A1 P00352 2/20 0.48
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ELANE P08246 1/20 0.42
THRB P10828 1/20 0.42
TSHR P16473 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL8105948 0.85 MAOA (0.53) CA12CA1CA2CA9MAOA
SCHEMBL3360160 0.83 MAOA (0.51) CA12CA1CA2CA9MAOA
SCHEMBL15856465 0.81 CA12 (0.51) CA12CA1CA2CA9MAOA
SCHEMBL16558542 0.81 MAOA (0.50) CA12CA1CA2CA9MAOA
SCHEMBL15856507 0.81 AKR1C3 (0.55) CA12CA1CA2CA9MAOA
SCHEMBL2996863 0.81 CYP2A6 (0.65) CA12CA1CA2CA9MAOA
SCHEMBL6253078 0.80 THRB (0.49) MAOACYP2A6CYP1A2TDP1THRB
SCHEMBL5491328 0.80 ALDH1A1 (0.49) CA12CA1CA2CA9MAOA
SCHEMBL17666295 0.80 MAPT (0.53) CYP1A2ALDH1A1KDM4EMEN1NPC1
SCHEMBL9856893 0.80 CYP2A6 (0.43) CA12CA1CA2CA9MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1018538-B1 REFRIGERATOR FLUID COMPOSITION NIPPON MITSUBISHI OIL CORP (JP) 2017-03-22 EP disclosed
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
CN-1099454-C Refrigerator oil composition and refrigerator fluid composition NIPPON OIL MITSUBISHI K K (JP) 2003-01-22 CN disclosed
CN-1260824-A Refrigerator oil composition and refrigerator fluid composition NIPPON OIL MITSUBISHI K K (JP) 2000-07-19 CN disclosed
EP-1018538-A1 REFRIGERATOR OIL COMPOSITION AND REFRIGERATOR FLUID COMPOSITION Nippon Mitsubishi Oil Corporation (JP) 2000-07-12 EP disclosed
EP-0989179-A1 Refrigerating machine oil Nippon Mitsubishi Oil Corporation (JP) 2000-03-29 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