SCHEMBL6547639

SCHEMBL6547639

CCCC=C(c1ccccc1)c1cccc(C)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 2/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
PARP1 P09874 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 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
SCHEMBL6547170 0.86 SMN1; SMN2 (0.46) GPR52SMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL1226216 0.86 SIGMAR1 (0.49) ALDH1A1SIGMAR1MTNR1AMTNR1B
SCHEMBL18604874 0.82 PBRM1 (0.46) ALDH1A1POLBSIGMAR1NPC1RAB9A
SCHEMBL17073434 0.82 PBRM1 (0.46) ALDH1A1POLBSIGMAR1NPC1RAB9A
SCHEMBL7923787 0.81 SMN1; SMN2 (0.45) GPR52SMN1; SMN2MAPTHPGDTDP1
SCHEMBL7923784 0.81 SMN1; SMN2 (0.45) GPR52SMN1; SMN2MAPTHPGDTDP1
SCHEMBL10591207 0.78 SMN1; SMN2 (0.52) GPR52SMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL6546977 0.78 SMN1; SMN2 (0.52) GPR52SMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL14288468 0.77 ESR1 (0.50)
SCHEMBL11994153 0.76 TBXAS1 (0.48) GPR52MAPTHPGDPARP1NPC1

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