SCHEMBL6546958

SCHEMBL6546958

Cc1ccccc1C=CCc1ccccc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 7/20 0.50
PTGER3 P43115 7/20 0.50
PTGER2 P43116 7/20 0.50
PTGER1 P34995 5/20 0.50
TAAR1 Q96RJ0 1/20 0.45
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
MEN1 O00255 1/20 0.40
PABPC1 P11940 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
THPO P40225 1/20 0.38

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
SCHEMBL6546135 0.87 PTGER4 (0.50) PTGER4PTGER3PTGER2PTGER1TAAR1
SCHEMBL6546153 0.87 PTGER4 (0.50) PTGER4PTGER3PTGER2PTGER1TAAR1
SCHEMBL6546139 0.84 PTGER1 (0.42) PTGER4PTGER3PTGER2PTGER1TSHR
SCHEMBL1932534 0.80 ALDH1A1 (0.55) PTGER4PTGER3PTGER2PTGER1TAAR1
SCHEMBL6546852 0.80 MAOB (0.54) PTGER4PTGER3PTGER2PTGER1TSHR
SCHEMBL1932532 0.80 ALDH1A1 (0.55) PTGER4PTGER3PTGER2PTGER1TAAR1
SCHEMBL1879330 0.79 TAAR1 (0.48) PTGER4PTGER3PTGER2PTGER1TAAR1
SCHEMBL1879329 0.79 TAAR1 (0.48) PTGER4PTGER3PTGER2PTGER1TAAR1
SCHEMBL8368839 0.79 TSHR (0.46) PTGER4PTGER3PTGER2PTGER1TAAR1
SCHEMBL1276610 0.77 TAAR1 (0.56) PTGER4PTGER3PTGER2PTGER1TAAR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115636782-B Synthesis method of polyaryl substituted pyridine 浙江工业大学 2024-07-19 CN disclosed
CN-115636782-A Synthetic method of polyaryl substituted pyridine 浙江工业大学 2023-01-24 CN disclosed
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