SCHEMBL6547310

SCHEMBL6547310

CCCCc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.55
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
HSD11B1 P28845 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SIGMAR1 Q99720 2/20 0.52
KCNH2 Q12809 2/20 0.52
LTA4H P09960 1/20 0.52
HTR2A P28223 2/20 0.50
TRPV1 Q8NER1 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MAOB P27338 1/20 0.50
CHRM2 P08172 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
CHRM1 P11229 1/20 0.50

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
SCHEMBL2314116 0.93 KCNH2 (0.59) CALM1ALDH1A1HSD17B10HSD11B1L3MBTL1
SCHEMBL18871637 0.91 KCNH2 (0.62) ALDH1A1HSD17B10HSD11B1L3MBTL1SIGMAR1
SCHEMBL10454638 0.91 KCNH2 (0.62) ALDH1A1HSD17B10HSD11B1L3MBTL1SIGMAR1
SCHEMBL6131261 0.91 ALDH1A1 (0.57) ALDH1A1HPGDHSD17B10HSD11B1SIGMAR1
Butylbenzyl SCHEMBL16051 0.91 SIGMAR1 (0.59) ALDH1A1HPGDHSD17B10HSD11B1L3MBTL1
Butylbenzyl SCHEMBL22716183 0.91 SIGMAR1 (0.59) ALDH1A1HPGDHSD17B10HSD11B1L3MBTL1
Butylbenzyl SCHEMBL3229215 0.91 SIGMAR1 (0.59) ALDH1A1HPGDHSD17B10HSD11B1L3MBTL1
SCHEMBL2490238 0.91 CA2 (0.58) ALDH1A1HPGDHSD17B10HTR2ATRPV1
Butylbenzyl SCHEMBL6380538 0.88 L3MBTL1 (0.59) ALDH1A1HPGDHSD17B10HSD11B1L3MBTL1
Butylbenzyl SCHEMBL9545214 0.88 SIGMAR1 (0.57) ALDH1A1HPGDHSD17B10HSD11B1L3MBTL1

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