SCHEMBL6546471

SCHEMBL6546471

CCc1cccc(C(C)=Cc2ccccc2)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
AKR1C3 P42330 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
RECQL P46063 1/20 0.39
CLCN2 P51788 1/20 0.39
RARA P10276 1/20 0.39
RARB P10826 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
SCHEMBL6120361 0.86 MEN1 (0.47) MEN1KMT2ALMNAMAPTHTT
SCHEMBL6546872 0.86 MEN1 (0.47) MEN1KMT2ALMNAMAPTHTT
SCHEMBL6546330 0.80 ALDH1A1 (0.41) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL6547236 0.78 KDM4E (0.42) MEN1KMT2ALMNAMAPTHTT
SCHEMBL6546483 0.77 MEN1 (0.41) MEN1KMT2ALMNAMAPTHTT
SCHEMBL6546466 0.77 MEN1 (0.41) MEN1KMT2ALMNAMAPTHTT
SCHEMBL7715071 0.76 TSHR (0.52) MEN1KMT2AHTTALDH1A1TSHR
SCHEMBL16961430 0.75 GABRA1 (0.48) LMNAHTTALDH1A1TSHRCLCN2
SCHEMBL622225 0.73 CLCN2 (0.54) MEN1KMT2ALMNAHTTCYP3A4
Benzene SCHEMBL28861692 0.73 CLCN2 (0.54) MEN1KMT2ALMNAHTTCYP3A4

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