SCHEMBL6546950

SCHEMBL6546950

Cc1ccc(C=CCc2ccccc2)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.47
PTGER1 P34995 2/20 0.42
PTGER4 P35408 2/20 0.42
PTGER3 P43115 2/20 0.42
PTGER2 P43116 2/20 0.42
ATP4A P20648 2/20 0.42
ATP4B P51164 2/20 0.42
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DHFR P00374 1/20 0.38
CA1 P00915 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
SCHEMBL4063297 0.82 MAOB (0.40) MAOBLMNAHTTSMN1; SMN2KDM4E
SCHEMBL6546852 0.82 MAOB (0.54) MAOBPTGER1PTGER4PTGER3PTGER2
SCHEMBL30017889 0.80 MAOB (0.47) MAOBPTGER1PTGER4PTGER3PTGER2
SCHEMBL8819996 0.76 PDE5A (0.40) LMNAHTTSMN1; SMN2KDM4EMEN1
SCHEMBL5837442 0.76 PDE5A (0.40) LMNAHTTSMN1; SMN2KDM4EMEN1
SCHEMBL6546947 0.75 MAOB (0.50) MAOBPTGER1PTGER4PTGER3PTGER2
SCHEMBL6546139 0.75 PTGER1 (0.42) PTGER1PTGER4PTGER3PTGER2LMNA
SCHEMBL11323718 0.74 AMY1A (0.47) LMNAHTTSMN1; SMN2KDM4EMEN1
SCHEMBL6546420 0.74 AMY1A (0.47) LMNAHTTSMN1; SMN2KDM4EMEN1
SCHEMBL2096224 0.74 CYP1A1 (0.42) LMNAHTTSMN1; SMN2KDM4EMEN1

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