SCHEMBL6548096

SCHEMBL6548096

C=C(Cc1ccccc1)c1cccc(CC)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
CLCN2 P51788 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
AKR1B1 P15121 1/20 0.37
GPR52 Q9Y2T5 1/20 0.37
ALOX12 P18054 1/20 0.37
TP53 P04637 1/20 0.36
ADRB2 P07550 1/20 0.36
PTGS2 P35354 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
SCHEMBL6546320 0.86 HTT (0.45) HTTCLCN2SMN1; SMN2GAAALDH1A1
SCHEMBL6546465 0.81 SMN1; SMN2 (0.44) SMN1; SMN2GAAMEN1KMT2ATDP1
SCHEMBL6547489 0.78 HTT (0.41) HTTSMN1; SMN2ALDH1A1MEN1TSHR
SCHEMBL6546966 0.77 CLCN2 (0.41) HTTCLCN2ALDH1A1MEN1KMT2A
SCHEMBL6546548 0.73 HPGD (0.42) HTTCLCN2SMN1; SMN2ALDH1A1MEN1
SCHEMBL6547302 0.73 GABRA1 (0.39) HTTALDH1A1CES2CES1GABRA1
SCHEMBL622225 0.73 CLCN2 (0.54) HTTCLCN2ALDH1A1MEN1TSHR
Benzene SCHEMBL28861692 0.73 CLCN2 (0.54) HTTCLCN2ALDH1A1MEN1TSHR
SCHEMBL6546968 0.72 HTT (0.51) HTTSMN1; SMN2GAAALDH1A1MEN1
SCHEMBL8093171 0.72 GABRA1 (0.45) HTTCLCN2SMN1; SMN2ALDH1A1MEN1

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