SCHEMBL6547302

SCHEMBL6547302

C=C(Cc1cccc(CC)c1C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAOA P21397 4/20 0.38
MAOB P27338 4/20 0.38
PTGS2 P35354 1/20 0.37
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
HPGD P15428 1/20 0.36
CES2 O00748 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
SCHEMBL6546362 0.85 MAOA (0.42) GABRA1GABRB2MAPTALDH1A1MAOA
SCHEMBL6546074 0.84 ALDH1A1 (0.40) MAPTALDH1A1MAOAMAOBPTGS2
SCHEMBL28804356 0.78 HPGD (0.47) MAPTALDH1A1MAOAMAOBHPGD
SCHEMBL6546966 0.76 CLCN2 (0.41) GABRA1GABRB2MAPTALDH1A1LMNA
SCHEMBL6547299 0.75 MAOA (0.40) MAOAMAOBCES2CES1
SCHEMBL599099 0.74 GABRA1 (0.57) GABRA1GABRB2MAPTCYP3A4NPSR1
SCHEMBL6548096 0.73 HTT (0.44) GABRA1GABRB2ALDH1A1PTGS2HTT
Ammonia Solution, Strong SCHEMBL9357829 0.72 GABRA1 (0.55) GABRA1GABRB2MAPTNPSR1PDCD1
Water SCHEMBL28182555 0.72 GABRA1 (0.55) GABRA1GABRB2MAPTNPSR1PDCD1
SCHEMBL31112285 0.72 AKR1B1 (0.57) MAOAMAOBCYP2D6

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