SCHEMBL6546791

SCHEMBL6546791

CCCc1ccc(CCc2ccccc2)cc1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.56
MAOB P27338 2/20 0.56
TP53 P04637 1/20 0.52
SIGMAR1 Q99720 2/20 0.52
FFAR1 O14842 1/20 0.50
LPL P06858 1/20 0.50
LIPG Q9Y5X9 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
CASP1 P29466 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KCNH2 Q12809 1/20 0.48
TAAR1 Q96RJ0 3/20 0.48
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 2/20 0.48
CYP2A6 P11509 1/20 0.48
HTR2A P28223 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL40575 0.94
SCHEMBL11594885 0.94 TP53 (0.58) TP53SIGMAR1ALDH1A1HPGDALOX15
Benzene SCHEMBL3223041 0.94 TP53 (0.58) TP53SIGMAR1ALDH1A1HPGDALOX15
Benzene SCHEMBL28308118 0.94 TP53 (0.58) TP53SIGMAR1ALDH1A1HPGDALOX15
Ammonia Solution, Strong SCHEMBL479482 0.92 TP53 (0.55) TP53SIGMAR1ALDH1A1HPGDALOX15
Iodide SCHEMBL10910035 0.92 TP53 (0.55) TP53SIGMAR1ALDH1A1HPGDALOX15
SCHEMBL9420959 0.92 TP53 (0.55) TP53SIGMAR1ALDH1A1HPGDALOX15
SCHEMBL10686071 0.92 TP53 (0.55) TP53SIGMAR1ALDH1A1HPGDALOX15
Hydrochloric Acid SCHEMBL5792976 0.92 TP53 (0.55) MAOAMAOBTP53SIGMAR1ALDH1A1
Iodide SCHEMBL28827008 0.92 TP53 (0.55) TP53SIGMAR1ALDH1A1HPGDALOX15

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