SCHEMBL6546773

SCHEMBL6546773

CCc1ccccc1C/C=C/c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.56
PTGER3 P43115 2/20 0.56
PTGER2 P43116 2/20 0.56
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
RECQL P46063 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
PAM P19021 1/20 0.47
HTR2A P28223 4/20 0.44
CHAT P28329 1/20 0.44
IDO1 P14902 2/20 0.42
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NR1I2 O75469 1/20 0.41
DRD2 P14416 1/20 0.41

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
SCHEMBL6546776 1.00 PTGER4 (0.56) PTGER4PTGER3PTGER2ALDH1A1KDM4E
SCHEMBL6547490 0.85 PTGER4 (0.50) PTGER4PTGER3PTGER2ALDH1A1KDM4E
SCHEMBL6547487 0.85 PTGER4 (0.49) PTGER4PTGER3PTGER2ALDH1A1KDM4E
SCHEMBL6547504 0.85 PTGER4 (0.49) PTGER4PTGER3PTGER2ALDH1A1KDM4E
SCHEMBL1932534 0.80 ALDH1A1 (0.55) PTGER4PTGER3PTGER2ALDH1A1KDM4E
SCHEMBL9035642 0.80 PTGER4 (0.51) PTGER4PTGER3PTGER2ALDH1A1KDM4E
SCHEMBL1932532 0.80 ALDH1A1 (0.55) PTGER4PTGER3PTGER2ALDH1A1KDM4E
SCHEMBL22230616 0.79 PTGER4 (0.59) PTGER4PTGER3PTGER2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL30081488 0.78 PTGER4 (0.50) PTGER4PTGER3PTGER2ALDH1A1KDM4E
SCHEMBL7111095 0.78 PTGER4 (0.50) PTGER4PTGER3PTGER2ALDH1A1KDM4E

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