SCHEMBL6546899

SCHEMBL6546899

CC=C(c1ccccc1C)c1ccccc1CC

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.45
SHBG P04278 1/20 0.40
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
TSHR P16473 2/20 0.38
HTT P42858 1/20 0.38
MAPK1 P28482 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
GPR52 Q9Y2T5 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37

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 0.84 TSHR (0.45) HPGDERCC5FEN1TSHRHTT
SCHEMBL124935 0.80 SLC6A1 (0.40) HPGDSHBGKDM4EALDH1A1GPR52
SCHEMBL6546961 0.77 HPGD (0.47) HPGDSHBGERCC5FEN1TSHR
SCHEMBL5402022 0.77 HPGD (0.51) HPGDSHBGERCC5FEN1TSHR
SCHEMBL6546846 0.75 POLB (0.46) HPGDSMN1; SMN2ALDH1A1GPR52KMT2A
SCHEMBL6546578 0.75 TRPA1 (0.41) HPGDTSHRHTTSMN1; SMN2ALDH1A1
SCHEMBL18621681 0.73 HPGD (0.47) HPGDSHBGERCC5FEN1TSHR
SCHEMBL6546142 0.72 CHRM3 (0.39) HPGDERCC5FEN1TSHRHTT
SCHEMBL6548199 0.72 NPC1 (0.42) HPGDERCC5FEN1SMN1; SMN2ALDH1A1
SCHEMBL7925207 0.72 NPC1 (0.42) HPGDERCC5FEN1SMN1; SMN2ALDH1A1

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