SCHEMBL6546852

SCHEMBL6546852

Cc1ccccc1C=CCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.54
ATP4A P20648 2/20 0.49
ATP4B P51164 2/20 0.49
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.43
PTGER1 P34995 4/20 0.43
PTGER4 P35408 4/20 0.43
PTGER3 P43115 4/20 0.43
PTGER2 P43116 4/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ARG2 P78540 1/20 0.42
KDM4E B2RXH2 3/20 0.41
RAB9A P51151 3/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
PABPC1 P11940 1/20 0.40

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
SCHEMBL6546947 0.89 MAOB (0.50) MAOBATP4AATP4BALDH1A1TSHR
SCHEMBL6546950 0.82 MAOB (0.47) MAOBATP4AATP4BTSHRPTGER1
SCHEMBL6546958 0.80 PTGER4 (0.50) ALDH1A1TSHRPTGER1PTGER4PTGER3
SCHEMBL6546515 0.77 MAOB (0.50) MAOBATP4AATP4BPTGER1PTGER4
SCHEMBL6546519 0.77 MAOB (0.50) MAOBATP4AATP4BPTGER1PTGER4
SCHEMBL1276606 0.77 ALDH1A1 (0.48) ALDH1A1TSHRPTGER1PTGER4PTGER3
SCHEMBL29373824 0.77 ALDH1A1 (0.48) ALDH1A1TSHRPTGER1PTGER4PTGER3
SCHEMBL2313488 0.77 ALDH1A1 (0.48) ALDH1A1TSHRPTGER1PTGER4PTGER3
SCHEMBL12301106 0.77 ALOX5 (0.50) MAOBALDH1A1TSHRPTGER1PTGER4
SCHEMBL14486053 0.76 MAOB (0.54) MAOBATP4AATP4BALDH1A1PTGER1

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
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
EP-0502031-A1 N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND A PHARMACEUTICAL COMPOSITION. NOVO NORDISK AS (DK) 1992-09-09 EP disclosed
WO-1991007389-A1 N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND A PHARMACEUTICAL COMPOSITION NOVO NORDISK A/S (DK) 1991-05-30 WO disclosed