SCHEMBL6546320

SCHEMBL6546320

C=C(Cc1ccccc1)c1ccccc1CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
AKR1B1 P15121 1/20 0.42
TP53 P04637 1/20 0.41
GAA P10253 2/20 0.40
CLCN2 P51788 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ADRB2 P07550 1/20 0.39
MAPT P10636 1/20 0.39
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
FOLH1 Q04609 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL6547489 0.87 HTT (0.41) HTTCES2CES1AKR1B1TP53
SCHEMBL6548096 0.86 HTT (0.44) HTTCES2CES1AKR1B1TP53
SCHEMBL11853872 0.80 GABRA1 (0.43) HTTTP53GAACLCN2ALDH1A1
SCHEMBL11359638 0.79 TP53 (0.50) HTTCES2CES1AKR1B1TP53
SCHEMBL7036783 0.79 MAPT (0.43) CES2CES1AKR1B1ALDH1A1ADRB2
SCHEMBL25636336 0.78 GABRA1 (0.44) HTTTP53CLCN2ALDH1A1FOLH1
SCHEMBL6546236 0.78 GABRA1 (0.48) HTTTP53GAACLCN2ALDH1A1
SCHEMBL9312052 0.77 F2R (0.45) HTTCES2CES1TP53CLCN2
SCHEMBL20431350 0.75 TSHR (0.43) HTTCES2CES1AKR1B1TP53
SCHEMBL6546180 0.75 MEN1 (0.42) HTTCES2CES1CLCN2ALDH1A1

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