SCHEMBL6546142

SCHEMBL6546142

CC=C(c1ccccc1C)c1c(C)cccc1C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.39
TSHR P16473 1/20 0.38
ACHE P22303 1/20 0.38
HPGD P15428 2/20 0.37
MYC P01106 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 1/20 0.36
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
HTT P42858 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL8733487 0.86 TSHR (0.45) CHRM3TSHRACHEHPGDERCC5
SCHEMBL6546578 0.81 TRPA1 (0.41) CHRM3TSHRACHEHPGDMYC
SCHEMBL7925207 0.78 NPC1 (0.42) CHRM3HPGDALDH1A1ERCC5FEN1
SCHEMBL6548199 0.78 NPC1 (0.42) CHRM3HPGDALDH1A1ERCC5FEN1
SCHEMBL22359706 0.75 CYP3A4 (0.45) CHRM3TSHRHPGDMYCALDH1A1
SCHEMBL19645398 0.74 CXCR5 (0.34) CHRM3HPGDKDM4ECYP3A4KMT2A
SCHEMBL6546582 0.74 NFE2L2 (0.46) CHRM3TSHRKDM4EHTTCYP3A4
SCHEMBL516741 0.73 MAOA (0.41) CHRM3TSHRACHEHPGDMYC
SCHEMBL6546899 0.72 HPGD (0.45) TSHRHPGDALDH1A1KDM4EERCC5
SCHEMBL7041793 0.71 CYP3A4 (0.48) HPGDMYCALDH1A1KDM4EHSD17B10

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