SCHEMBL6547529

SCHEMBL6547529

CC(C)(C)c1ccccc1CCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
ABCB1 P08183 2/20 0.42
ALDH1A1 P00352 2/20 0.40
ALOX12 P18054 2/20 0.40
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
KCNH2 Q12809 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ATM Q13315 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
SCHEMBL30183586 1.00 HTR1A (0.44) HTR1ADRD2ABCB1ALDH1A1ALOX12
SCHEMBL9838551 0.89 ALDH1A1 (0.48) ALDH1A1ALOX12TSHRTDP1POLB
SCHEMBL11709270 0.81 TAAR1 (0.42) HTR1ADRD2ABCB1ALDH1A1TSHR
SCHEMBL6546758 0.81 CALM1 (0.46) DRD2ALDH1A1ALOX12TSHRTDP1
SCHEMBL28018420 0.80 CYP2C19 (0.42) HTR1ADRD2ALDH1A1MAOAMAOB
SCHEMBL17671285 0.79 KDM4E (0.54) HTR1ADRD2ALDH1A1MAOBPOLB
SCHEMBL2693816 0.78 ALDH1A1 (0.43) HTR1AALDH1A1TSHRTDP1GAA
SCHEMBL11850425 0.78 TYR (0.47) DRD2ALDH1A1GAAALOX15HSD17B10
SCHEMBL11080119 0.78 HTR1A (0.43) HTR1ADRD2ABCB1ALDH1A1ALOX12
SCHEMBL9251988 0.77 ALDH1A1 (0.46) ALDH1A1ALOX12TSHRTDP1POLB

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